N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C22H19F3N2O3 — CID 155464930

IUPACN-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19F3N2O3/c1-13-3-5-14(6-4-13)19(15-7-9-16(30-2)10-8-15)27-21(29)17-11-12-18(22(23,24)25)26-20(17)28/h3-12,19H,1-2H3,(H,26,28)(H,27,29)
InChIKeyADSNEHXQKLWFTF-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.23
Rot. Bonds5

About N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464930) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464930
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC NameN-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19F3N2O3/c1-13-3-5-14(6-4-13)19(15-7-9-16(30-2)10-8-15)27-21(29)17-11-12-18(22(23,24)25)26-20(17)28/h3-12,19H,1-2H3,(H,26,28)(H,27,29)
InChIKeyADSNEHXQKLWFTF-UHFFFAOYSA-N
XLogP4.23
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 155571812
N-[[4-(methanesulfonamido)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464436
N-[(4-cyclohexa-1,5-dien-1-yloxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155571854
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464383
N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464882
N-(1,3-dihydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65310475
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464616
2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464418
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464930) is N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ADSNEHXQKLWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-13-3-5-14(6-4-13)19(15-7-9-16(30-2)10-8-15)27-21(29)17-11-12-18(22(23,24)25)26-20(17)28/h3-12,19H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).