N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide

C34H26F3N3O2 — CID 12051304

IUPACN-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(CNC(=O)c3cncc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)c3)cc2)cc1
InChIInChI=1S/C34H26F3N3O2/c1-22-6-10-24(11-7-22)25-12-8-23(9-13-25)19-39-32(41)27-18-29(21-38-20-27)40-33(42)31-5-3-2-4-30(31)26-14-16-28(17-15-26)34(35,36)37/h2-18,20-21H,19H2,1H3,(H,39,41)(H,40,42)
InChIKeyCOLREVSQFZIPON-UHFFFAOYSA-N
MW565.60 g/mol
LogP7.93
Rot. Bonds7

About N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide

N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide (PubChem CID 12051304) has the molecular formula C34H26F3N3O2 and a molecular weight of 565.60 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
PubChem CID12051304
Molecular FormulaC34H26F3N3O2
Molecular Weight565.60 g/mol
Exact Mass565.20
IUPAC NameN-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(CNC(=O)c3cncc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)c3)cc2)cc1
InChIInChI=1S/C34H26F3N3O2/c1-22-6-10-24(11-7-22)25-12-8-23(9-13-25)19-39-32(41)27-18-29(21-38-20-27)40-33(42)31-5-3-2-4-30(31)26-14-16-28(17-15-26)34(35,36)37/h2-18,20-21H,19H2,1H3,(H,39,41)(H,40,42)
InChIKeyCOLREVSQFZIPON-UHFFFAOYSA-N
XLogP7.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.60
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]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

Related Compounds

N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
2-methyl-N-[4-[[[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]methyl]phenyl]benzamide
CID 70144080
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144762
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144706
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide
CID 12051311
N-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;2-[4-(trifluoromethyl)phenyl]benzoic acid
CID 86591518
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70142839
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide (CID 12051304) is N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide is Cc1ccc(-c2ccc(CNC(=O)c3cncc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)c3)cc2)cc1.
What is the InChIKey of N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide?
The InChIKey is COLREVSQFZIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F3N3O2/c1-22-6-10-24(11-7-22)25-12-8-23(9-13-25)19-39-32(41)27-18-29(21-38-20-27)40-33(42)31-5-3-2-4-30(31)26-14-16-28(17-15-26)34(35,36)37/h2-18,20-21H,19H2,1H3,(H,39,41)(H,40,42).
What are the key properties of N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide?
N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide has a molecular weight of 565.60 g/mol, XLogP of 7.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 12051304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).