5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane

C40H51F6N5O4 — CID 143779395

IUPAC5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane
SMILESCC.CC.CC.Cc1cc(C(=O)NCCN(C)CCNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C34H33F6N5O4.3C2H6/c1-20-17-28(32(49)45(22(20)3)26-10-6-8-24(19-26)34(38,39)40)30(47)42-14-16-43(4)15-13-41-29(46)27-12-11-21(2)44(31(27)48)25-9-5-7-23(18-25)33(35,36)37;3*1-2/h5-12,17-19H,13-16H2,1-4H3,(H,41,46)(H,42,47);3*1-2H3
InChIKeyRGUUCLBOTRMSKT-UHFFFAOYSA-N
MW779.87 g/mol
LogP8.12
Rot. Bonds10

About 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane

5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane (PubChem CID 143779395) has the molecular formula C40H51F6N5O4 and a molecular weight of 779.87 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane
PubChem CID143779395
Molecular FormulaC40H51F6N5O4
Molecular Weight779.87 g/mol
Exact Mass779.38
IUPAC Name5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane
SMILESCC.CC.CC.Cc1cc(C(=O)NCCN(C)CCNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C34H33F6N5O4.3C2H6/c1-20-17-28(32(49)45(22(20)3)26-10-6-8-24(19-26)34(38,39)40)30(47)42-14-16-43(4)15-13-41-29(46)27-12-11-21(2)44(31(27)48)25-9-5-7-23(18-25)33(35,36)37;3*1-2/h5-12,17-19H,13-16H2,1-4H3,(H,41,46)(H,42,47);3*1-2H3
InChIKeyRGUUCLBOTRMSKT-UHFFFAOYSA-N
XLogP8.12
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.87
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane 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

5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 147946887
3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68881140
5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68881463
methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate
CID 68881412
3-N-(2-hydroxyethyl)-3-N,2-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68880505
5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68884088
2,3,5-trimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 58636933
5-hydroxy-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 70267707
N-[3-[[4,6-bis[3-[[5-(4-fluorophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]propylamino]-1,3,5-triazin-2-yl]amino]propyl]-5-(4-fluorophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 58097424
5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 143779393
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69441638
2-methyl-5-[(4-methylsulfonylphenyl)methylcarbamoyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-sulfonic acid
CID 11847627

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane?
The IUPAC name of 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane (CID 143779395) is 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane.
What is the SMILES notation for 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane?
The canonical SMILES for 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane is CC.CC.CC.Cc1cc(C(=O)NCCN(C)CCNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane?
The InChIKey is RGUUCLBOTRMSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F6N5O4.3C2H6/c1-20-17-28(32(49)45(22(20)3)26-10-6-8-24(19-26)34(38,39)40)30(47)42-14-16-43(4)15-13-41-29(46)27-12-11-21(2)44(31(27)48)25-9-5-7-23(18-25)33(35,36)37;3*1-2/h5-12,17-19H,13-16H2,1-4H3,(H,41,46)(H,42,47);3*1-2H3.
What are the key properties of 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane?
5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane has a molecular weight of 779.87 g/mol, XLogP of 8.12, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 143779395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).