2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide

C16H15N3O — CID 115115897

IUPAC2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccnc(C#N)c1
InChIInChI=1S/C16H15N3O/c1-12-5-3-4-6-14(12)11-19(2)16(20)13-7-8-18-15(9-13)10-17/h3-9H,11H2,1-2H3
InChIKeyGQZFEBDZOWALRK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds3

About 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide

2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 115115897) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID115115897
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccnc(C#N)c1
InChIInChI=1S/C16H15N3O/c1-12-5-3-4-6-14(12)11-19(2)16(20)13-7-8-18-15(9-13)10-17/h3-9H,11H2,1-2H3
InChIKeyGQZFEBDZOWALRK-UHFFFAOYSA-N
XLogP2.53
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 62175582
4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 115115729
4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 51089957
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide (CID 115115897) is 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccnc(C#N)c1.
What is the InChIKey of 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is GQZFEBDZOWALRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-5-3-4-6-14(12)11-19(2)16(20)13-7-8-18-15(9-13)10-17/h3-9H,11H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115115897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).