4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide

C13H10F3N3O — CID 81240870

IUPAC4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cc(F)c(F)cc2F)cn1
InChIInChI=1S/C13H10F3N3O/c1-6-2-11(17)7(5-18-6)13(20)19-12-4-9(15)8(14)3-10(12)16/h2-5H,1H3,(H2,17,18)(H,19,20)
InChIKeyWNXWUOTWCFVCNT-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.64
Rot. Bonds2

About 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide

4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 81240870) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
PubChem CID81240870
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cc(F)c(F)cc2F)cn1
InChIInChI=1S/C13H10F3N3O/c1-6-2-11(17)7(5-18-6)13(20)19-12-4-9(15)8(14)3-10(12)16/h2-5H,1H3,(H2,17,18)(H,19,20)
InChIKeyWNXWUOTWCFVCNT-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.64
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

4-amino-N-(3-fluoro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81242532
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
4-amino-N-(4-fluoro-2-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81245036
4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570
4-amino-N,6-dimethylpyridine-3-carboxamide
CID 81236701
4-amino-N-(1,3-dimethylpyrazol-4-yl)-6-methylpyridine-3-carboxamide
CID 102807226
4-amino-6-methyl-N-phenylpyridine-3-carboxamide
CID 81236063
4-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81242553
4-amino-N-(5-chloro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81233986
4-amino-N-(4-methoxy-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240718
4-amino-6-methyl-N-pyrazin-2-ylpyridine-3-carboxamide
CID 81242289
4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81236350

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide (CID 81240870) is 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide is Cc1cc(N)c(C(=O)Nc2cc(F)c(F)cc2F)cn1.
What is the InChIKey of 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is WNXWUOTWCFVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-6-2-11(17)7(5-18-6)13(20)19-12-4-9(15)8(14)3-10(12)16/h2-5H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide?
4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 281.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).