5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide

C14H10FN3O — CID 63718583

IUPAC5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2cccc(F)c2)nc1
InChIInChI=1S/C14H10FN3O/c15-12-3-1-2-10(6-12)8-18-14(19)13-5-4-11(7-16)9-17-13/h1-6,9H,8H2,(H,18,19)
InChIKeyJAHWEWWCDJPVGX-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.02
Rot. Bonds3

About 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide

5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 63718583) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID63718583
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2cccc(F)c2)nc1
InChIInChI=1S/C14H10FN3O/c15-12-3-1-2-10(6-12)8-18-14(19)13-5-4-11(7-16)9-17-13/h1-6,9H,8H2,(H,18,19)
InChIKeyJAHWEWWCDJPVGX-UHFFFAOYSA-N
XLogP2.02
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 113355793
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824245
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 162338345
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide (CID 63718583) is 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide is N#Cc1ccc(C(=O)NCc2cccc(F)c2)nc1.
What is the InChIKey of 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is JAHWEWWCDJPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-3-1-2-10(6-12)8-18-14(19)13-5-4-11(7-16)9-17-13/h1-6,9H,8H2,(H,18,19).
What are the key properties of 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 255.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63718583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).