N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C42H33ClF6N4O4 — CID 160523157

IUPACN-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1.Cc1cc(C(=O)NCc2ccccc2Cl)c(=O)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H16ClF3N2O2.C21H17F3N2O2/c1-13-9-17(19(28)26-11-14-5-2-3-8-18(14)22)20(29)27(12-13)16-7-4-6-15(10-16)21(23,24)25;1-14-10-18(19(27)25-12-15-6-3-2-4-7-15)20(28)26(13-14)17-9-5-8-16(11-17)21(22,23)24/h2-10,12H,11H2,1H3,(H,26,28);2-11,13H,12H2,1H3,(H,25,27)
InChIKeyQUNUTYUXVGWKGP-UHFFFAOYSA-N
MW807.19 g/mol
LogP8.84
Rot. Bonds8

About N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 160523157) has the molecular formula C42H33ClF6N4O4 and a molecular weight of 807.19 g/mol. Its IUPAC name is N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID160523157
Molecular FormulaC42H33ClF6N4O4
Molecular Weight807.19 g/mol
Exact Mass806.21
IUPAC NameN-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1.Cc1cc(C(=O)NCc2ccccc2Cl)c(=O)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H16ClF3N2O2.C21H17F3N2O2/c1-13-9-17(19(28)26-11-14-5-2-3-8-18(14)22)20(29)27(12-13)16-7-4-6-15(10-16)21(23,24)25;1-14-10-18(19(27)25-12-15-6-3-2-4-7-15)20(28)26(13-14)17-9-5-8-16(11-17)21(22,23)24/h2-10,12H,11H2,1H3,(H,26,28);2-11,13H,12H2,1H3,(H,25,27)
InChIKeyQUNUTYUXVGWKGP-UHFFFAOYSA-N
XLogP8.84
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.19
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 160523157) is N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1.Cc1cc(C(=O)NCc2ccccc2Cl)c(=O)n(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QUNUTYUXVGWKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O2.C21H17F3N2O2/c1-13-9-17(19(28)26-11-14-5-2-3-8-18(14)22)20(29)27(12-13)16-7-4-6-15(10-16)21(23,24)25;1-14-10-18(19(27)25-12-15-6-3-2-4-7-15)20(28)26(13-14)17-9-5-8-16(11-17)21(22,23)24/h2-10,12H,11H2,1H3,(H,26,28);2-11,13H,12H2,1H3,(H,25,27).
What are the key properties of N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 807.19 g/mol, XLogP of 8.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 160523157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).