6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide

C15H12FN3O — CID 115116506

IUPAC6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2cccc(C#N)n2)ccc1F
InChIInChI=1S/C15H12FN3O/c1-10-7-11(5-6-13(10)16)9-18-15(20)14-4-2-3-12(8-17)19-14/h2-7H,9H2,1H3,(H,18,20)
InChIKeyHMMNPZISFBSXOE-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.33
Rot. Bonds3

About 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide

6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 115116506) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID115116506
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2cccc(C#N)n2)ccc1F
InChIInChI=1S/C15H12FN3O/c1-10-7-11(5-6-13(10)16)9-18-15(20)14-4-2-3-12(8-17)19-14/h2-7H,9H2,1H3,(H,18,20)
InChIKeyHMMNPZISFBSXOE-UHFFFAOYSA-N
XLogP2.33
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
CID 115116512
6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 115116507
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-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 24660078
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 18208923
2-cyano-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropanamide
CID 115175082
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate
CID 70249523

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide (CID 115116506) is 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide is Cc1cc(CNC(=O)c2cccc(C#N)n2)ccc1F.
What is the InChIKey of 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HMMNPZISFBSXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-10-7-11(5-6-13(10)16)9-18-15(20)14-4-2-3-12(8-17)19-14/h2-7H,9H2,1H3,(H,18,20).
What are the key properties of 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide?
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115116506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).