(R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoic acid
3-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]benzoic acid
Molecular Identity
(R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoic acid
3-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]benzoic acid
PubChem CID: 118366267
2D Structure
Properties
C26H28N4O5
Molecular Formula
476.50
Molecular Weight
g/mol
476.2060
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
687
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=CC=CC=C1OC2CCCN(C2)C3=NC=C(C=N3)C(=O)NCC4=CC(=CC=C4)C(=O)OIsomeric SMILES
SMILES: CCOC1=CC=CC=C1O[C@@H]2CCCN(C2)C3=NC=C(C=N3)C(=O)NCC4=CC(=CC=C4)C(=O)OSynonyms(11)
1809064-23-0PF-06427878(R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoic acidorb1739320CHEMBL5179535SCHEMBL17077562IDVOZBCJUVAIMF-OAQYLSRUSA-NUS10188653, Example 1BDBM323589JXC06423EBC-498082
Data from PubChem (NCBI)
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Molecular Structure
(R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoic acid
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Drug Network
Trials and conditions connected to (R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoic acid
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