6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide

C16H15N3O — CID 115116507

IUPAC6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C#N)n2)c(C)c1
InChIInChI=1S/C16H15N3O/c1-11-6-7-13(12(2)8-11)10-18-16(20)15-5-3-4-14(9-17)19-15/h3-8H,10H2,1-2H3,(H,18,20)
InChIKeyHUVCSKXBYHIYJX-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.50
Rot. Bonds3

About 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide

6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 115116507) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
PubChem CID115116507
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C#N)n2)c(C)c1
InChIInChI=1S/C16H15N3O/c1-11-6-7-13(12(2)8-11)10-18-16(20)15-5-3-4-14(9-17)19-15/h3-8H,10H2,1-2H3,(H,18,20)
InChIKeyHUVCSKXBYHIYJX-UHFFFAOYSA-N
XLogP2.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
CID 115115865
6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 115116521
6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 115116559
N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
CID 115116512
6-cyano-N-(2,5-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 115116466
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide (CID 115116507) is 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cccc(C#N)n2)c(C)c1.
What is the InChIKey of 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HUVCSKXBYHIYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-6-7-13(12(2)8-11)10-18-16(20)15-5-3-4-14(9-17)19-15/h3-8H,10H2,1-2H3,(H,18,20).
What are the key properties of 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide?
6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115116507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).