4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

C15H13N3O — CID 115115651

IUPAC4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnccc2C#N)cc1
InChIInChI=1S/C15H13N3O/c1-11-3-5-13(6-4-11)18(2)15(19)14-10-17-8-7-12(14)9-16/h3-8,10H,1-2H3
InChIKeyZJRYDNZCSMCPET-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.54
Rot. Bonds2

About 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 115115651) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID115115651
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnccc2C#N)cc1
InChIInChI=1S/C15H13N3O/c1-11-3-5-13(6-4-11)18(2)15(19)14-10-17-8-7-12(14)9-16/h3-8,10H,1-2H3
InChIKeyZJRYDNZCSMCPET-UHFFFAOYSA-N
XLogP2.54
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 115115659
N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide
CID 115115670
3-amino-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105069166
4-(ethylamino)-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 81242334
4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 115115729
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
N,5-dimethyl-2-(methylamino)-N-pyridin-4-ylbenzamide
CID 106937153
N-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
N,4-dimethyl-2-(methylamino)-N-pyridin-4-ylbenzamide
CID 106937217
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (CID 115115651) is 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(N(C)C(=O)c2cnccc2C#N)cc1.
What is the InChIKey of 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is ZJRYDNZCSMCPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-3-5-13(6-4-11)18(2)15(19)14-10-17-8-7-12(14)9-16/h3-8,10H,1-2H3.
What are the key properties of 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 115115651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).