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

C21H17F3N2O3 — CID 155464437

IUPACN-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1
InChIInChI=1S/C21H17F3N2O3/c1-29-16-10-6-5-9-14(16)18(13-7-3-2-4-8-13)26-20(28)15-11-12-17(21(22,23)24)25-19(15)27/h2-12,18H,1H3,(H,25,27)(H,26,28)
InChIKeyHQGMROOXRAAXQY-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.92
Rot. Bonds5

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

N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464437) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464437
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1
InChIInChI=1S/C21H17F3N2O3/c1-29-16-10-6-5-9-14(16)18(13-7-3-2-4-8-13)26-20(28)15-11-12-17(21(22,23)24)25-19(15)27/h2-12,18H,1H3,(H,25,27)(H,26,28)
InChIKeyHQGMROOXRAAXQY-UHFFFAOYSA-N
XLogP3.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464437) is N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1ccccc1C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HQGMROOXRAAXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-29-16-10-6-5-9-14(16)18(13-7-3-2-4-8-13)26-20(28)15-11-12-17(21(22,23)24)25-19(15)27/h2-12,18H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).