N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide

C15H14F3N3O — CID 164905798

IUPACN-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nccc(C(F)(F)F)c2C)cc1N
InChIInChI=1S/C15H14F3N3O/c1-8-3-4-10(7-12(8)19)21-14(22)13-9(2)11(5-6-20-13)15(16,17)18/h3-7H,19H2,1-2H3,(H,21,22)
InChIKeyGNORISDVEZOSEH-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.55
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide

N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164905798) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164905798
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nccc(C(F)(F)F)c2C)cc1N
InChIInChI=1S/C15H14F3N3O/c1-8-3-4-10(7-12(8)19)21-14(22)13-9(2)11(5-6-20-13)15(16,17)18/h3-7H,19H2,1-2H3,(H,21,22)
InChIKeyGNORISDVEZOSEH-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide
CID 143654172
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
CID 60541422
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
2-ethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 89433950

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide (CID 164905798) is N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2nccc(C(F)(F)F)c2C)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GNORISDVEZOSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-8-3-4-10(7-12(8)19)21-14(22)13-9(2)11(5-6-20-13)15(16,17)18/h3-7H,19H2,1-2H3,(H,21,22).
What are the key properties of N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide?
N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164905798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).