N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H19F3N2O3 — CID 155464905

IUPACN-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC1CC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2O1
InChIInChI=1S/C19H19F3N2O3/c1-3-11-9-14(13-8-10(2)4-6-15(13)27-11)23-17(25)12-5-7-16(19(20,21)22)24-18(12)26/h4-8,11,14H,3,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOLQHXUMJDKLWFG-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.73
Rot. Bonds3

About N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464905) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464905
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC1CC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2O1
InChIInChI=1S/C19H19F3N2O3/c1-3-11-9-14(13-8-10(2)4-6-15(13)27-11)23-17(25)12-5-7-16(19(20,21)22)24-18(12)26/h4-8,11,14H,3,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOLQHXUMJDKLWFG-UHFFFAOYSA-N
XLogP3.73
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-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 N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464905) is N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC1CC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2O1.
What is the InChIKey of N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OLQHXUMJDKLWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-3-11-9-14(13-8-10(2)4-6-15(13)27-11)23-17(25)12-5-7-16(19(20,21)22)24-18(12)26/h4-8,11,14H,3,9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).