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

C16H15N3O — CID 115116809

IUPAC4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cc(C#N)ccn2)cc1C
InChIInChI=1S/C16H15N3O/c1-11-4-5-14(8-12(11)2)19(3)16(20)15-9-13(10-17)6-7-18-15/h4-9H,1-3H3
InChIKeyNQBLWZFEKQDXQQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.85
Rot. Bonds2

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

4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide (PubChem CID 115116809) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
PubChem CID115116809
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cc(C#N)ccn2)cc1C
InChIInChI=1S/C16H15N3O/c1-11-4-5-14(8-12(11)2)19(3)16(20)15-9-13(10-17)6-7-18-15/h4-9H,1-3H3
InChIKeyNQBLWZFEKQDXQQ-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-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116825
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 115116827
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
CID 11031719
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
N-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 115116879
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
CID 62983094
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
N-[(5-bromo-2-methylphenyl)methyl]-4-cyanopyridine-2-carboxamide
CID 115116857
5-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981357

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide (CID 115116809) is 4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide is Cc1ccc(N(C)C(=O)c2cc(C#N)ccn2)cc1C.
What is the InChIKey of 4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is NQBLWZFEKQDXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-4-5-14(8-12(11)2)19(3)16(20)15-9-13(10-17)6-7-18-15/h4-9H,1-3H3.
What are the key properties of 4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide?
4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-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-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115116809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).