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

C21H17F3N2O2 — CID 155464270

IUPACN-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1
InChIInChI=1S/C21H17F3N2O2/c1-13-6-5-9-15(12-13)18(14-7-3-2-4-8-14)26-20(28)16-10-11-17(21(22,23)24)25-19(16)27/h2-12,18H,1H3,(H,25,27)(H,26,28)
InChIKeyJRWHSEGKOORPND-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.22
Rot. Bonds4

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

N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464270) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464270
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1
InChIInChI=1S/C21H17F3N2O2/c1-13-6-5-9-15(12-13)18(14-7-3-2-4-8-14)26-20(28)16-10-11-17(21(22,23)24)25-19(16)27/h2-12,18H,1H3,(H,25,27)(H,26,28)
InChIKeyJRWHSEGKOORPND-UHFFFAOYSA-N
XLogP4.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464270) is N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1.
What is the InChIKey of N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is JRWHSEGKOORPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-13-6-5-9-15(12-13)18(14-7-3-2-4-8-14)26-20(28)16-10-11-17(21(22,23)24)25-19(16)27/h2-12,18H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).