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

C24H22F3N3O2 — CID 66586796

IUPAC2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESNc1ccc(OC2CCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)17-4-1-3-15(11-17)14-30-23(31)16-9-10-29-22(12-16)20-13-19(7-8-21(20)28)32-18-5-2-6-18/h1,3-4,7-13,18H,2,5-6,14,28H2,(H,30,31)
InChIKeyFQQAEUOKWXQGBX-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.21
Rot. Bonds6

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

2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 66586796) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID66586796
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESNc1ccc(OC2CCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)17-4-1-3-15(11-17)14-30-23(31)16-9-10-29-22(12-16)20-13-19(7-8-21(20)28)32-18-5-2-6-18/h1,3-4,7-13,18H,2,5-6,14,28H2,(H,30,31)
InChIKeyFQQAEUOKWXQGBX-UHFFFAOYSA-N
XLogP5.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 66586796) is 2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is Nc1ccc(OC2CCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is FQQAEUOKWXQGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-24(26,27)17-4-1-3-15(11-17)14-30-23(31)16-9-10-29-22(12-16)20-13-19(7-8-21(20)28)32-18-5-2-6-18/h1,3-4,7-13,18H,2,5-6,14,28H2,(H,30,31).
What are the key properties of 2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
2-(2-amino-5-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 5.21, 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-cyclobutyloxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66586796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).