N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C42H35F6N5O5 — CID 87957567

IUPACN-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c1.Cc1ccc(C(=O)NCc2ccncc2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O3.C20H16F3N3O2/c1-14-9-10-19(20(28)26-13-15-5-3-8-18(11-15)30-2)21(29)27(14)17-7-4-6-16(12-17)22(23,24)25;1-13-5-6-17(18(27)25-12-14-7-9-24-10-8-14)19(28)26(13)16-4-2-3-15(11-16)20(21,22)23/h3-12H,13H2,1-2H3,(H,26,28);2-11H,12H2,1H3,(H,25,27)
InChIKeyQRCWIRIADDGXFR-UHFFFAOYSA-N
MW803.76 g/mol
LogP7.59
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 87957567) has the molecular formula C42H35F6N5O5 and a molecular weight of 803.76 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID87957567
Molecular FormulaC42H35F6N5O5
Molecular Weight803.76 g/mol
Exact Mass803.25
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c1.Cc1ccc(C(=O)NCc2ccncc2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O3.C20H16F3N3O2/c1-14-9-10-19(20(28)26-13-15-5-3-8-18(11-15)30-2)21(29)27(14)17-7-4-6-16(12-17)22(23,24)25;1-13-5-6-17(18(27)25-12-14-7-9-24-10-8-14)19(28)26(13)16-4-2-3-15(11-16)20(21,22)23/h3-12H,13H2,1-2H3,(H,26,28);2-11H,12H2,1H3,(H,25,27)
InChIKeyQRCWIRIADDGXFR-UHFFFAOYSA-N
XLogP7.59
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.76
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 87957567) is N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COc1cccc(CNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c1.Cc1ccc(C(=O)NCc2ccncc2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QRCWIRIADDGXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3.C20H16F3N3O2/c1-14-9-10-19(20(28)26-13-15-5-3-8-18(11-15)30-2)21(29)27(14)17-7-4-6-16(12-17)22(23,24)25;1-13-5-6-17(18(27)25-12-14-7-9-24-10-8-14)19(28)26(13)16-4-2-3-15(11-16)20(21,22)23/h3-12H,13H2,1-2H3,(H,26,28);2-11H,12H2,1H3,(H,25,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 803.76 g/mol, XLogP of 7.59, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87957567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).