2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide

C17H12F3N3O — CID 2812456

IUPAC2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C17H12F3N3O/c1-10-12(7-8-14(21-10)17(18,19)20)16(24)23-15-9-6-11-4-2-3-5-13(11)22-15/h2-9H,1H3,(H,22,23,24)
InChIKeyXLKAIDXKYYUJOW-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.21
Rot. Bonds2

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

2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2812456) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2812456
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C17H12F3N3O/c1-10-12(7-8-14(21-10)17(18,19)20)16(24)23-15-9-6-11-4-2-3-5-13(11)22-15/h2-9H,1H3,(H,22,23,24)
InChIKeyXLKAIDXKYYUJOW-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-quinolin-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2812456) is 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XLKAIDXKYYUJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-10-12(7-8-14(21-10)17(18,19)20)16(24)23-15-9-6-11-4-2-3-5-13(11)22-15/h2-9H,1H3,(H,22,23,24).
What are the key properties of 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2812456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).