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

C14H13F2N3O — CID 105384530

IUPAC3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(F)ccc2C)c1F
InChIInChI=1S/C14H13F2N3O/c1-8-3-4-9(15)7-11(8)19-14(20)10-5-6-18-13(17-2)12(10)16/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyONJQKEHBWGEODW-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.96
Rot. Bonds3

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

3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105384530) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID105384530
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(F)ccc2C)c1F
InChIInChI=1S/C14H13F2N3O/c1-8-3-4-9(15)7-11(8)19-14(20)10-5-6-18-13(17-2)12(10)16/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyONJQKEHBWGEODW-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387648
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 105384003
3-fluoro-N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387986
N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387954
N-(2-chloro-5-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 107631178
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide (CID 105384530) is 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2cc(F)ccc2C)c1F.
What is the InChIKey of 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is ONJQKEHBWGEODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-8-3-4-9(15)7-11(8)19-14(20)10-5-6-18-13(17-2)12(10)16/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide?
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105384530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).