N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C21H17F3N2O3 — CID 155464422

IUPACN-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(CO)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)17-11-10-16(19(28)25-17)20(29)26-18(14-4-2-1-3-5-14)15-8-6-13(12-27)7-9-15/h1-11,18,27H,12H2,(H,25,28)(H,26,29)
InChIKeyZACXIQIACGLEAS-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.41
Rot. Bonds5

About N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464422) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464422
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(CO)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)17-11-10-16(19(28)25-17)20(29)26-18(14-4-2-1-3-5-14)15-8-6-13(12-27)7-9-15/h1-11,18,27H,12H2,(H,25,28)(H,26,29)
InChIKeyZACXIQIACGLEAS-UHFFFAOYSA-N
XLogP3.41
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
N-[bis(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464242
N-[(4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464412
2-oxo-N-[phenyl-(4-prop-1-en-2-ylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464415
2-oxo-N-[phenyl-[4-[(E)-prop-1-enyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464428
2-oxo-N-[phenyl-(4-propylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464457
2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464559
N-[3,4-dihydro-1H-isochromen-6-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464582
N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464709
N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464803
N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464844
N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464845

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464422) is N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(CO)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZACXIQIACGLEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c22-21(23,24)17-11-10-16(19(28)25-17)20(29)26-18(14-4-2-1-3-5-14)15-8-6-13(12-27)7-9-15/h1-11,18,27H,12H2,(H,25,28)(H,26,29).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).