N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

C21H20N6O — CID 97343961

IUPACN-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESN#Cc1cccnc1N1CCC[C@@H](c2[nH]ncc2NC(=O)c2ccccc2)C1
InChIInChI=1S/C21H20N6O/c22-12-16-8-4-10-23-20(16)27-11-5-9-17(14-27)19-18(13-24-26-19)25-21(28)15-6-2-1-3-7-15/h1-4,6-8,10,13,17H,5,9,11,14H2,(H,24,26)(H,25,28)/t17-/m1/s1
InChIKeyWPQKMNUZLRVKTE-QGZVFWFLSA-N
MW372.43 g/mol
LogP3.31
Rot. Bonds4

About N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 97343961) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID97343961
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESN#Cc1cccnc1N1CCC[C@@H](c2[nH]ncc2NC(=O)c2ccccc2)C1
InChIInChI=1S/C21H20N6O/c22-12-16-8-4-10-23-20(16)27-11-5-9-17(14-27)19-18(13-24-26-19)25-21(28)15-6-2-1-3-7-15/h1-4,6-8,10,13,17H,5,9,11,14H2,(H,24,26)(H,25,28)/t17-/m1/s1
InChIKeyWPQKMNUZLRVKTE-QGZVFWFLSA-N
XLogP3.31
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide 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

N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56869965
N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75474491
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97343926
N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993635
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95223986
2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 47079116

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (CID 97343961) is N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is N#Cc1cccnc1N1CCC[C@@H](c2[nH]ncc2NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is WPQKMNUZLRVKTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N6O/c22-12-16-8-4-10-23-20(16)27-11-5-9-17(14-27)19-18(13-24-26-19)25-21(28)15-6-2-1-3-7-15/h1-4,6-8,10,13,17H,5,9,11,14H2,(H,24,26)(H,25,28)/t17-/m1/s1.
What are the key properties of N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 97343961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).