4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C15H12FN3O — CID 115115732

IUPAC4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cnccc1C#N
InChIInChI=1S/C15H12FN3O/c1-19(10-11-3-2-4-13(16)7-11)15(20)14-9-18-6-5-12(14)8-17/h2-7,9H,10H2,1H3
InChIKeyUEUOOLDIQRVKNT-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.36
Rot. Bonds3

About 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 115115732) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID115115732
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cnccc1C#N
InChIInChI=1S/C15H12FN3O/c1-19(10-11-3-2-4-13(16)7-11)15(20)14-9-18-6-5-12(14)8-17/h2-7,9H,10H2,1H3
InChIKeyUEUOOLDIQRVKNT-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

N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81238313
4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 115115729
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480
2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170886
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 115115732) is 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1cnccc1C#N.
What is the InChIKey of 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is UEUOOLDIQRVKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-19(10-11-3-2-4-13(16)7-11)15(20)14-9-18-6-5-12(14)8-17/h2-7,9H,10H2,1H3.
What are the key properties of 4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-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-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 115115732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).