3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C21H18F3N3O2 — CID 177283529

IUPAC3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(N)=O)c1N
InChIInChI=1S/C21H18F3N3O2/c1-10-3-8-16(28)11(2)17(10)14-9-15(27-19(18(14)25)20(26)29)12-4-6-13(7-5-12)21(22,23)24/h3-9,28H,25H2,1-2H3,(H2,26,29)
InChIKeyNNCJMBFLYTUZKW-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.44
Rot. Bonds3

About 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 177283529) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID177283529
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(N)=O)c1N
InChIInChI=1S/C21H18F3N3O2/c1-10-3-8-16(28)11(2)17(10)14-9-15(27-19(18(14)25)20(26)29)12-4-6-13(7-5-12)21(22,23)24/h3-9,28H,25H2,1-2H3,(H2,26,29)
InChIKeyNNCJMBFLYTUZKW-UHFFFAOYSA-N
XLogP4.44
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-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 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 177283529) is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Cc1ccc(O)c(C)c1-c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is NNCJMBFLYTUZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-10-3-8-16(28)11(2)17(10)14-9-15(27-19(18(14)25)20(26)29)12-4-6-13(7-5-12)21(22,23)24/h3-9,28H,25H2,1-2H3,(H2,26,29).
What are the key properties of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 177283529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).