1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C20H22N4O — CID 133356309

IUPAC1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cccc(C#N)n3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-15-5-7-16(8-6-15)14-22-20(25)17-9-11-24(12-10-17)19-4-2-3-18(13-21)23-19/h2-8,17H,9-12,14H2,1H3,(H,22,25)
InChIKeyPKGCRUWQIRZGDC-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.79
Rot. Bonds4

About 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133356309) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133356309
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cccc(C#N)n3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-15-5-7-16(8-6-15)14-22-20(25)17-9-11-24(12-10-17)19-4-2-3-18(13-21)23-19/h2-8,17H,9-12,14H2,1H3,(H,22,25)
InChIKeyPKGCRUWQIRZGDC-UHFFFAOYSA-N
XLogP2.79
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345350
1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356428
1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 133392211
1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133485103
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide
CID 163357560
N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783357
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide
CID 50768566
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742720
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 133356309) is 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3cccc(C#N)n3)CC2)cc1.
What is the InChIKey of 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is PKGCRUWQIRZGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-5-7-16(8-6-15)14-22-20(25)17-9-11-24(12-10-17)19-4-2-3-18(13-21)23-19/h2-8,17H,9-12,14H2,1H3,(H,22,25).
What are the key properties of 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133356309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).