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

C13H10F3N3O — CID 104641160

IUPAC5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(F)c(F)cc2F)nc1
InChIInChI=1S/C13H10F3N3O/c1-17-7-2-3-11(18-6-7)13(20)19-12-5-9(15)8(14)4-10(12)16/h2-6,17H,1H3,(H,19,20)
InChIKeyGWHKXNIGYLPRHZ-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.79
Rot. Bonds3

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

5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 104641160) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide
PubChem CID104641160
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(F)c(F)cc2F)nc1
InChIInChI=1S/C13H10F3N3O/c1-17-7-2-3-11(18-6-7)13(20)19-12-5-9(15)8(14)4-10(12)16/h2-6,17H,1H3,(H,19,20)
InChIKeyGWHKXNIGYLPRHZ-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.79
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

N-(2-fluoro-4-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639628
N-(2,5-dimethylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639933
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
N-(3,5-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639754
N',N'-dimethyl-5-(methylamino)pyridine-2-carbohydrazide
CID 104641981
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
N-(5-chloro-2-pyridinyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640066
5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide
CID 104641163
5-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 104640093
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide
CID 104639887

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide (CID 104641160) is 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide is CNc1ccc(C(=O)Nc2cc(F)c(F)cc2F)nc1.
What is the InChIKey of 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is GWHKXNIGYLPRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-17-7-2-3-11(18-6-7)13(20)19-12-5-9(15)8(14)4-10(12)16/h2-6,17H,1H3,(H,19,20).
What are the key properties of 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide?
5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 281.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 104641160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).