N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H21F3N2O3 — CID 155464345

IUPACN-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2OC)c1
InChIInChI=1S/C23H21F3N2O3/c1-3-14-7-6-8-15(13-14)20(16-9-4-5-10-18(16)31-2)28-22(30)17-11-12-19(23(24,25)26)27-21(17)29/h4-13,20H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyDBKCQROGIRSYIS-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.48
Rot. Bonds6

About N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464345) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464345
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC NameN-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2OC)c1
InChIInChI=1S/C23H21F3N2O3/c1-3-14-7-6-8-15(13-14)20(16-9-4-5-10-18(16)31-2)28-22(30)17-11-12-19(23(24,25)26)27-21(17)29/h4-13,20H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyDBKCQROGIRSYIS-UHFFFAOYSA-N
XLogP4.48
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464345) is N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2OC)c1.
What is the InChIKey of N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DBKCQROGIRSYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-3-14-7-6-8-15(13-14)20(16-9-4-5-10-18(16)31-2)28-22(30)17-11-12-19(23(24,25)26)27-21(17)29/h4-13,20H,3H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-(2-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).