5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide

C14H10FN3O — CID 63716731

IUPAC5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cn2)ccc1F
InChIInChI=1S/C14H10FN3O/c1-9-6-11(3-4-12(9)15)18-14(19)13-5-2-10(7-16)8-17-13/h2-6,8H,1H3,(H,18,19)
InChIKeyOYDUSOJBQAQPSI-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.65
Rot. Bonds2

About 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide

5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide (PubChem CID 63716731) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
PubChem CID63716731
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cn2)ccc1F
InChIInChI=1S/C14H10FN3O/c1-9-6-11(3-4-12(9)15)18-14(19)13-5-2-10(7-16)8-17-13/h2-6,8H,1H3,(H,18,19)
InChIKeyOYDUSOJBQAQPSI-UHFFFAOYSA-N
XLogP2.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 62952492
5-(aminomethyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63722889
5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide (CID 63716731) is 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(C#N)cn2)ccc1F.
What is the InChIKey of 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is OYDUSOJBQAQPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-9-6-11(3-4-12(9)15)18-14(19)13-5-2-10(7-16)8-17-13/h2-6,8H,1H3,(H,18,19).
What are the key properties of 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide?
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 255.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 63716731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).