N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C14H12F3N3O — CID 114750435

IUPACN-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNCc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)10-3-6-12(19-8-10)13(21)20-11-4-1-9(7-18)2-5-11/h1-6,8H,7,18H2,(H,20,21)
InChIKeyHXWUUPBEXPZRDI-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.81
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114750435) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114750435
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNCc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)10-3-6-12(19-8-10)13(21)20-11-4-1-9(7-18)2-5-11/h1-6,8H,7,18H2,(H,20,21)
InChIKeyHXWUUPBEXPZRDI-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)phenyl]-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-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 171616756
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
N-(4-hydroxy-3-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115751923
N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107334173
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
N-[(E)-4-chlorobut-2-enyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909073
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113368697
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103745352

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114750435) is N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is NCc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HXWUUPBEXPZRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)10-3-6-12(19-8-10)13(21)20-11-4-1-9(7-18)2-5-11/h1-6,8H,7,18H2,(H,20,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114750435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).