1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide

C19H20N4O — CID 16588037

IUPAC1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1
InChIInChI=1S/C19H20N4O/c1-14-3-2-4-17(11-14)22-19(24)16-7-9-23(10-8-16)18-6-5-15(12-20)13-21-18/h2-6,11,13,16H,7-10H2,1H3,(H,22,24)
InChIKeyPWJSABOAQIDPHT-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.12
Rot. Bonds3

About 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 16588037) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID16588037
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1
InChIInChI=1S/C19H20N4O/c1-14-3-2-4-17(11-14)22-19(24)16-7-9-23(10-8-16)18-6-5-15(12-20)13-21-18/h2-6,11,13,16H,7-10H2,1H3,(H,22,24)
InChIKeyPWJSABOAQIDPHT-UHFFFAOYSA-N
XLogP3.12
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588035
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 46699660
1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 46432232
1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46509482
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 46697284
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 30135877
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide (CID 16588037) is 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is PWJSABOAQIDPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-3-2-4-17(11-14)22-19(24)16-7-9-23(10-8-16)18-6-5-15(12-20)13-21-18/h2-6,11,13,16H,7-10H2,1H3,(H,22,24).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16588037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).