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

C23H22F3N3O2 — CID 66586808

IUPAC2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(N)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
InChIInChI=1S/C23H22F3N3O2/c1-14(2)31-18-6-7-20(27)19(12-18)21-11-16(8-9-28-21)22(30)29-13-15-4-3-5-17(10-15)23(24,25)26/h3-12,14H,13,27H2,1-2H3,(H,29,30)
InChIKeyVDQJNCRUAOOPNM-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.07
Rot. Bonds6

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

2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 66586808) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID66586808
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(N)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
InChIInChI=1S/C23H22F3N3O2/c1-14(2)31-18-6-7-20(27)19(12-18)21-11-16(8-9-28-21)22(30)29-13-15-4-3-5-17(10-15)23(24,25)26/h3-12,14H,13,27H2,1-2H3,(H,29,30)
InChIKeyVDQJNCRUAOOPNM-UHFFFAOYSA-N
XLogP5.07
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-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 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 66586808) is 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is CC(C)Oc1ccc(N)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.
What is the InChIKey of 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is VDQJNCRUAOOPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-14(2)31-18-6-7-20(27)19(12-18)21-11-16(8-9-28-21)22(30)29-13-15-4-3-5-17(10-15)23(24,25)26/h3-12,14H,13,27H2,1-2H3,(H,29,30).
What are the key properties of 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-propan-2-yloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66586808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).