N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

C14H12F3N3O — CID 114908272

IUPACN-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(N)cc1
InChIInChI=1S/C14H12F3N3O/c1-20(11-5-3-10(18)4-6-11)13(21)12-7-2-9(8-19-12)14(15,16)17/h2-8H,18H2,1H3
InChIKeyCRLBJHQZKWYFMW-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.96
Rot. Bonds2

About N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114908272) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114908272
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(N)cc1
InChIInChI=1S/C14H12F3N3O/c1-20(11-5-3-10(18)4-6-11)13(21)12-7-2-9(8-19-12)14(15,16)17/h2-8H,18H2,1H3
InChIKeyCRLBJHQZKWYFMW-UHFFFAOYSA-N
XLogP2.96
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide
CID 167832314
N-(2-amino-2-sulfanylideneethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908476
N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113229640
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908477
N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 124571272
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
4-[methyl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 115596387
5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 63723051
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384
N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
CID 146585049

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114908272) is N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is CN(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CRLBJHQZKWYFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-20(11-5-3-10(18)4-6-11)13(21)12-7-2-9(8-19-12)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114908272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).