4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide

C16H15N3O — CID 115115659

IUPAC4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnccc2C#N)c(C)c1
InChIInChI=1S/C16H15N3O/c1-11-4-5-15(12(2)8-11)19(3)16(20)14-10-18-7-6-13(14)9-17/h4-8,10H,1-3H3
InChIKeyYGVMWXLKTIRJRB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.85
Rot. Bonds2

About 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide

4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide (PubChem CID 115115659) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide
PubChem CID115115659
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnccc2C#N)c(C)c1
InChIInChI=1S/C16H15N3O/c1-11-4-5-15(12(2)8-11)19(3)16(20)14-10-18-7-6-13(14)9-17/h4-8,10H,1-3H3
InChIKeyYGVMWXLKTIRJRB-UHFFFAOYSA-N
XLogP2.85
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 115115651
N-(2,4-dimethylphenyl)-4-(ethylamino)-N-methylpyridine-3-carboxamide
CID 81237748
N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide
CID 115115670
4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 115115729
N-(2,4-dimethylphenyl)-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63858926
N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381112
N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174274
N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide
CID 47313258
2-amino-N-(2,4-dimethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161286
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732
N-(2,4-dimethylphenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103888049
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide (CID 115115659) is 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide is Cc1ccc(N(C)C(=O)c2cnccc2C#N)c(C)c1.
What is the InChIKey of 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is YGVMWXLKTIRJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-4-5-15(12(2)8-11)19(3)16(20)14-10-18-7-6-13(14)9-17/h4-8,10H,1-3H3.
What are the key properties of 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide?
4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 115115659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).