N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide

C21H14N4O2 — CID 142894550

IUPACN,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C#N)c2)c(=O)n1-c1cccc(C#N)c1
InChIInChI=1S/C21H14N4O2/c1-14-8-9-19(20(26)24-17-6-2-4-15(10-17)12-22)21(27)25(14)18-7-3-5-16(11-18)13-23/h2-11H,1H3,(H,24,26)
InChIKeyJIMKQKAUOCEPBH-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.14
Rot. Bonds3

About N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide

N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 142894550) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID142894550
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC NameN,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C#N)c2)c(=O)n1-c1cccc(C#N)c1
InChIInChI=1S/C21H14N4O2/c1-14-8-9-19(20(26)24-17-6-2-4-15(10-17)12-22)21(27)25(14)18-7-3-5-16(11-18)13-23/h2-11H,1H3,(H,24,26)
InChIKeyJIMKQKAUOCEPBH-UHFFFAOYSA-N
XLogP3.14
TPSA98.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
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N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide
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N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
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2,5-dibromo-N-(3-cyanophenyl)benzamide
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[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
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N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide (CID 142894550) is N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(C#N)c2)c(=O)n1-c1cccc(C#N)c1.
What is the InChIKey of N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is JIMKQKAUOCEPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c1-14-8-9-19(20(26)24-17-6-2-4-15(10-17)12-22)21(27)25(14)18-7-3-5-16(11-18)13-23/h2-11H,1H3,(H,24,26).
What are the key properties of N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(3-cyanophenyl)-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 142894550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).