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

C20H21F3N2O3 — CID 155464903

IUPACN-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1CC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2O1
InChIInChI=1S/C20H21F3N2O3/c1-3-4-12-10-15(14-9-11(2)5-7-16(14)28-12)24-18(26)13-6-8-17(20(21,22)23)25-19(13)27/h5-9,12,15H,3-4,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZOZJOWMAXFIUQB-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.12
Rot. Bonds4

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

N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464903) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464903
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1CC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2O1
InChIInChI=1S/C20H21F3N2O3/c1-3-4-12-10-15(14-9-11(2)5-7-16(14)28-12)24-18(26)13-6-8-17(20(21,22)23)25-19(13)27/h5-9,12,15H,3-4,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZOZJOWMAXFIUQB-UHFFFAOYSA-N
XLogP4.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464903) is N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCC1CC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2O1.
What is the InChIKey of N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZOZJOWMAXFIUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-3-4-12-10-15(14-9-11(2)5-7-16(14)28-12)24-18(26)13-6-8-17(20(21,22)23)25-19(13)27/h5-9,12,15H,3-4,10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).