N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C12H16F3N3O — CID 119494830

IUPACN-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCC(C)N
InChIInChI=1S/C12H16F3N3O/c1-7(16)5-6-17-11(19)9-3-4-10(12(13,14)15)18-8(9)2/h3-4,7H,5-6,16H2,1-2H3,(H,17,19)
InChIKeyDREWLJBQLOPVDM-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.88
Rot. Bonds4

About N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 119494830) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID119494830
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCC(C)N
InChIInChI=1S/C12H16F3N3O/c1-7(16)5-6-17-11(19)9-3-4-10(12(13,14)15)18-8(9)2/h3-4,7H,5-6,16H2,1-2H3,(H,17,19)
InChIKeyDREWLJBQLOPVDM-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-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

N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120506183
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97311248
N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119585454
2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69437945
N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
CID 119495808
2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46981446
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
N,2-dimethyl-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69435136
3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-1-one
CID 167670286

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 119494830) is N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DREWLJBQLOPVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7(16)5-6-17-11(19)9-3-4-10(12(13,14)15)18-8(9)2/h3-4,7H,5-6,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119494830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).