N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H23F3N2O3 — CID 155464844

IUPACN-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2cc(CCO)c(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23F3N2O3/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)28-22(31)19-13-18(11-12-30)21(24(25,26)27)29-23(19)32/h3-10,13,20,30H,11-12H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyRZJBURQSLORUKJ-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.06
Rot. Bonds6

About N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464844) has the molecular formula C24H23F3N2O3 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464844
Molecular FormulaC24H23F3N2O3
Molecular Weight444.45 g/mol
Exact Mass444.17
IUPAC NameN-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2cc(CCO)c(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23F3N2O3/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)28-22(31)19-13-18(11-12-30)21(24(25,26)27)29-23(19)32/h3-10,13,20,30H,11-12H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyRZJBURQSLORUKJ-UHFFFAOYSA-N
XLogP4.06
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
CID 162664878
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 15983688
N-cycloheptyl-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 162656799
N-[(3,4-dimethylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 42940979
N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464238
N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464240
N-[bis(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464242
N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464246
N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464270
2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464292
N-[2-cyclobutyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464323
2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464357

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464844) is N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc(C(NC(=O)c2cc(CCO)c(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RZJBURQSLORUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)28-22(31)19-13-18(11-12-30)21(24(25,26)27)29-23(19)32/h3-10,13,20,30H,11-12H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).