N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide

C29H23F6N3O — CID 10209197

IUPACN-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)c(C(F)(F)F)c3)cn2)ccn1
InChIInChI=1S/C29H23F6N3O/c1-17-6-4-5-7-21(17)22-14-26(20-10-11-36-18(2)12-20)37-15-23(22)27(39)38(3)16-19-8-9-24(28(30,31)32)25(13-19)29(33,34)35/h4-15H,16H2,1-3H3
InChIKeyGFNUPPRWEPHEMA-UHFFFAOYSA-N
MW543.51 g/mol
LogP7.74
Rot. Bonds5

About N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide

N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 10209197) has the molecular formula C29H23F6N3O and a molecular weight of 543.51 g/mol. Its IUPAC name is N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID10209197
Molecular FormulaC29H23F6N3O
Molecular Weight543.51 g/mol
Exact Mass543.17
IUPAC NameN-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)c(C(F)(F)F)c3)cn2)ccn1
InChIInChI=1S/C29H23F6N3O/c1-17-6-4-5-7-21(17)22-14-26(20-10-11-36-18(2)12-20)37-15-23(22)27(39)38(3)16-19-8-9-24(28(30,31)32)25(13-19)29(33,34)35/h4-15H,16H2,1-3H3
InChIKeyGFNUPPRWEPHEMA-UHFFFAOYSA-N
XLogP7.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.51
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)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-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
CID 23502810
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-pyridin-2-ylsulfonylpyridine-3-carboxamide
CID 10145228
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(pyridine-4-carbonyl)pyridine-3-carboxamide
CID 23502866
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxypropoxy)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
CID 10279873
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-iodopiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
CID 139298129
6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
CID 18403324
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 78770926
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
CID 126582882
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447787
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chlorophenyl)-N-methyl-2-methylsulfonylpyrimidine-5-carboxamide
CID 54009887

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide (CID 10209197) is N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide is Cc1cc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)c(C(F)(F)F)c3)cn2)ccn1.
What is the InChIKey of N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is GFNUPPRWEPHEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F6N3O/c1-17-6-4-5-7-21(17)22-14-26(20-10-11-36-18(2)12-20)37-15-23(22)27(39)38(3)16-19-8-9-24(28(30,31)32)25(13-19)29(33,34)35/h4-15H,16H2,1-3H3.
What are the key properties of N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 543.51 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(2-methyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 10209197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).