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

C14H10FN3O — CID 55229412

IUPAC5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H10FN3O/c1-9-2-4-11(15)6-13(9)18-14(19)12-5-3-10(7-16)8-17-12/h2-6,8H,1H3,(H,18,19)
InChIKeyPUUSWKWPXTVRPH-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.65
Rot. Bonds2

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

5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 55229412) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID55229412
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H10FN3O/c1-9-2-4-11(15)6-13(9)18-14(19)12-5-3-10(7-16)8-17-12/h2-6,8H,1H3,(H,18,19)
InChIKeyPUUSWKWPXTVRPH-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

5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62960498
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252
3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64525453
5-cyano-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 63718471
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide (CID 55229412) is 5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide is Cc1ccc(F)cc1NC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is PUUSWKWPXTVRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-9-2-4-11(15)6-13(9)18-14(19)12-5-3-10(7-16)8-17-12/h2-6,8H,1H3,(H,18,19).
What are the key properties of 5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide?
5-cyano-N-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 55229412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).