(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide

C18H18N4O — CID 51928820

IUPAC(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
SMILESN#Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc1
InChIInChI=1S/C18H18N4O/c19-11-14-8-9-17(20-12-14)22-10-4-5-15(13-22)18(23)21-16-6-2-1-3-7-16/h1-3,6-9,12,15H,4-5,10,13H2,(H,21,23)/t15-/m0/s1
InChIKeyVAUFMPQHBHVXGY-HNNXBMFYSA-N
MW306.37 g/mol
LogP2.81
Rot. Bonds3

About (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide

(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 51928820) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
PubChem CID51928820
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
SMILESN#Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc1
InChIInChI=1S/C18H18N4O/c19-11-14-8-9-17(20-12-14)22-10-4-5-15(13-22)18(23)21-16-6-2-1-3-7-16/h1-3,6-9,12,15H,4-5,10,13H2,(H,21,23)/t15-/m0/s1
InChIKeyVAUFMPQHBHVXGY-HNNXBMFYSA-N
XLogP2.81
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588035
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide (CID 51928820) is (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide is N#Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc1.
What is the InChIKey of (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is VAUFMPQHBHVXGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-11-14-8-9-17(20-12-14)22-10-4-5-15(13-22)18(23)21-16-6-2-1-3-7-16/h1-3,6-9,12,15H,4-5,10,13H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide?
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 51928820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).