4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide

C15H12FN3O — CID 115116879

IUPAC4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(C#N)ccn1
InChIInChI=1S/C15H12FN3O/c1-19(10-11-2-4-13(16)5-3-11)15(20)14-8-12(9-17)6-7-18-14/h2-8H,10H2,1H3
InChIKeyPVJBDDUXOUYZHB-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.36
Rot. Bonds3

About 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide

4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 115116879) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID115116879
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(C#N)ccn1
InChIInChI=1S/C15H12FN3O/c1-19(10-11-2-4-13(16)5-3-11)15(20)14-8-12(9-17)6-7-18-14/h2-8H,10H2,1H3
InChIKeyPVJBDDUXOUYZHB-UHFFFAOYSA-N
XLogP2.36
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 55041871
N-[(4-fluorophenyl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62243720
4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116825
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
CID 11031719
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 115116827
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 115116879) is 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cc(C#N)ccn1.
What is the InChIKey of 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is PVJBDDUXOUYZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-19(10-11-2-4-13(16)5-3-11)15(20)14-8-12(9-17)6-7-18-14/h2-8H,10H2,1H3.
What are the key properties of 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115116879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).