2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide

C13H7F2N3O — CID 115115799

IUPAC2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C13H7F2N3O/c14-9-1-2-12(11(15)6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19)
InChIKeyPKVKVEMWTFELGR-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.48
Rot. Bonds2

About 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide

2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide (PubChem CID 115115799) has the molecular formula C13H7F2N3O and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
PubChem CID115115799
Molecular FormulaC13H7F2N3O
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C13H7F2N3O/c14-9-1-2-12(11(15)6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19)
InChIKeyPKVKVEMWTFELGR-UHFFFAOYSA-N
XLogP2.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
CID 115115806
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784
2-N-(4-chlorophenyl)-4-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109092888
4-N-(2,4-difluorophenyl)-2-N-(2,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091777
N-(2,4-difluorophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175949
2-N-(2,4-difluorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078181
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide (CID 115115799) is 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide is N#Cc1cc(C(=O)Nc2ccc(F)cc2F)ccn1.
What is the InChIKey of 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide?
The InChIKey is PKVKVEMWTFELGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O/c14-9-1-2-12(11(15)6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19).
What are the key properties of 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide?
2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide has a molecular weight of 259.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 115115799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).