N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C14H10ClFN4O — CID 105386639

IUPACN-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(Cl)ccc2C#N)c1F
InChIInChI=1S/C14H10ClFN4O/c1-18-13-12(16)10(4-5-19-13)14(21)20-11-6-9(15)3-2-8(11)7-17/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyGFVDXALTJQEQGE-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.04
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105386639) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105386639
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC NameN-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(Cl)ccc2C#N)c1F
InChIInChI=1S/C14H10ClFN4O/c1-18-13-12(16)10(4-5-19-13)14(21)20-11-6-9(15)3-2-8(11)7-17/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyGFVDXALTJQEQGE-UHFFFAOYSA-N
XLogP3.04
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105383965
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
N-(2-chloro-5-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 107631178
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81226633
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
2-chloro-N-(5-chloro-2-cyanophenyl)furan-3-carboxamide
CID 106684843
N-(2,3-difluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385160
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387184

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105386639) is N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2cc(Cl)ccc2C#N)c1F.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is GFVDXALTJQEQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c1-18-13-12(16)10(4-5-19-13)14(21)20-11-6-9(15)3-2-8(11)7-17/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 304.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105386639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).