2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide

C28H29F6N3O2 — CID 152622459

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide
SMILESCCC(C(=O)N(C)c1cnc(N(C)CCO)cc1-c1ccccc1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H29F6N3O2/c1-5-21(18-12-19(27(29,30)31)14-20(13-18)28(32,33)34)26(39)37(4)24-16-35-25(36(3)10-11-38)15-23(24)22-9-7-6-8-17(22)2/h6-9,12-16,21,38H,5,10-11H2,1-4H3
InChIKeyZBUSIDQSWBMORW-UHFFFAOYSA-N
MW553.55 g/mol
LogP6.68
Rot. Bonds8

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide (PubChem CID 152622459) has the molecular formula C28H29F6N3O2 and a molecular weight of 553.55 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide
PubChem CID152622459
Molecular FormulaC28H29F6N3O2
Molecular Weight553.55 g/mol
Exact Mass553.22
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide
SMILESCCC(C(=O)N(C)c1cnc(N(C)CCO)cc1-c1ccccc1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H29F6N3O2/c1-5-21(18-12-19(27(29,30)31)14-20(13-18)28(32,33)34)26(39)37(4)24-16-35-25(36(3)10-11-38)15-23(24)22-9-7-6-8-17(22)2/h6-9,12-16,21,38H,5,10-11H2,1-4H3
InChIKeyZBUSIDQSWBMORW-UHFFFAOYSA-N
XLogP6.68
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.55
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide 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

2-[[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)-2-pyridinyl]-methylamino]acetic acid
CID 151587952
3-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 142665125
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(2-phenylethynyl)-3-pyridinyl]propanamide
CID 23502848
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(2,5-dioxopyrrolidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 10231820
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 87303981
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(2,3-dimethylphenyl)-3-pyridinyl]-N,2-dimethylbutanamide
CID 142983647
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 11621569
[3-[methyl-[4-(2-methylphenyl)-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)phenyl]carbamic acid
CID 118002468
2-[3,5-bis(trifluoromethyl)phenyl]butanoic acid
CID 23225987
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[3-(hydroxymethyl)-1,1-dioxo-1,4-thiazinan-4-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 11158011
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
CID 91253064
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide
CID 23502864

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide (CID 152622459) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide is CCC(C(=O)N(C)c1cnc(N(C)CCO)cc1-c1ccccc1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide?
The InChIKey is ZBUSIDQSWBMORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F6N3O2/c1-5-21(18-12-19(27(29,30)31)14-20(13-18)28(32,33)34)26(39)37(4)24-16-35-25(36(3)10-11-38)15-23(24)22-9-7-6-8-17(22)2/h6-9,12-16,21,38H,5,10-11H2,1-4H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide has a molecular weight of 553.55 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[2-hydroxyethyl(methyl)amino]-4-(2-methylphenyl)-3-pyridinyl]-N-methylbutanamide is sourced from PubChem (CID 152622459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).