N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C13H9Cl2F2N3O — CID 105387184

IUPACN-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1F
InChIInChI=1S/C13H9Cl2F2N3O/c1-18-12-10(17)7(2-3-19-12)13(21)20-11-8(14)4-6(16)5-9(11)15/h2-5H,1H3,(H,18,19)(H,20,21)
InChIKeyFASPDZYEGYORNW-UHFFFAOYSA-N
MW332.14 g/mol
LogP3.96
Rot. Bonds3

About N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105387184) has the molecular formula C13H9Cl2F2N3O and a molecular weight of 332.14 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105387184
Molecular FormulaC13H9Cl2F2N3O
Molecular Weight332.14 g/mol
Exact Mass331.01
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1F
InChIInChI=1S/C13H9Cl2F2N3O/c1-18-12-10(17)7(2-3-19-12)13(21)20-11-8(14)4-6(16)5-9(11)15/h2-5H,1H3,(H,18,19)(H,20,21)
InChIKeyFASPDZYEGYORNW-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 105384003
N-(2-chloro-5-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 107631178
N-(5-chloro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105383965
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386639
N-(2,3-difluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385160
3-fluoro-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 105387664
N-(5-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385053
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 105384065

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105387184) is N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1F.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is FASPDZYEGYORNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N3O/c1-18-12-10(17)7(2-3-19-12)13(21)20-11-8(14)4-6(16)5-9(11)15/h2-5H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 332.14 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105387184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).