Pavinetant
3-(methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Molecular Identity
Pavinetant
3-(methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
PubChem CID: 23649245
Pavinetant is a member of the class of quinolines that is the amide obtained by formal condensation of the carboxy group of 3-[(methanesulfonyl)amino]-2-phenylquinoline-4-carboxylic acid with the amino group of (1S)-1-phenylpropan-1-amine. A neurokinin-3 receptor antagonist that has been trialled as a potential drug for treatment of schizophrenia and menopausal symptoms. It has a role as a neurokinin-3 receptor antagonist and an antipsychotic agent. It is a secondary carboxamide, a member of quinolines, a sulfonamide and an aromatic amide.
2D Structure
Properties
C26H25N3O3S
Molecular Formula
459.60
Molecular Weight
g/mol
459.1617
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
96.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
740
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Pavinetant941690-55-7AZD2624AZD-2624MLE-4901MLE4901AZD4901Pavinetant [USAN]pavinetantum3U471ZVC5K4-Quinolinecarboxamide, 3-((methylsulfonyl)amino)-2-phenyl-N-((1S)-1-phenylpropyl)-3-(methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamideAZ124752520AZD 2624AZD-4901
Data from PubChem (NCBI)
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Drug Network
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