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

C15H13FN4O — CID 105385118

IUPACN-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(C#N)ccc2C)c1F
InChIInChI=1S/C15H13FN4O/c1-9-3-4-10(8-17)7-12(9)20-15(21)11-5-6-19-14(18-2)13(11)16/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyHGPPLBNOKAAAKW-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.69
Rot. Bonds3

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

N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105385118) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105385118
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(C#N)ccc2C)c1F
InChIInChI=1S/C15H13FN4O/c1-9-3-4-10(8-17)7-12(9)20-15(21)11-5-6-19-14(18-2)13(11)16/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyHGPPLBNOKAAAKW-UHFFFAOYSA-N
XLogP2.69
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
N-(5-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385053
N-(5-chloro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105383965
N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387648
N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386639
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384421
3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 105384003
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387954
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105385118) is N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2cc(C#N)ccc2C)c1F.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is HGPPLBNOKAAAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-9-3-4-10(8-17)7-12(9)20-15(21)11-5-6-19-14(18-2)13(11)16/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).