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

C13H9F4N3O — CID 105386062

IUPAC3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(F)cc(F)c2F)c1F
InChIInChI=1S/C13H9F4N3O/c1-18-12-10(16)7(2-3-19-12)13(21)20-9-5-6(14)4-8(15)11(9)17/h2-5H,1H3,(H,18,19)(H,20,21)
InChIKeyRVZRLGHIPTVLHK-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.93
Rot. Bonds3

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

3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 105386062) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
PubChem CID105386062
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(F)cc(F)c2F)c1F
InChIInChI=1S/C13H9F4N3O/c1-18-12-10(16)7(2-3-19-12)13(21)20-9-5-6(14)4-8(15)11(9)17/h2-5H,1H3,(H,18,19)(H,20,21)
InChIKeyRVZRLGHIPTVLHK-UHFFFAOYSA-N
XLogP2.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105381162
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
N-(2,3-difluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385160
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387648
N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387184
N-(5-chloro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105383965
N-(5-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385053
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
5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62812436
N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386639

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide (CID 105386062) is 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2cc(F)cc(F)c2F)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is RVZRLGHIPTVLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c1-18-12-10(16)7(2-3-19-12)13(21)20-9-5-6(14)4-8(15)11(9)17/h2-5H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 299.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105386062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).