7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C26H21F3N2O2 — CID 175159865

IUPAC7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NC(C)c3ccccn3)cc2c1
InChIInChI=1S/C26H21F3N2O2/c1-16(24-5-3-4-12-30-24)31-25(32)18-8-11-22-19(13-18)14-21(33-2)15-23(22)17-6-9-20(10-7-17)26(27,28)29/h3-16H,1-2H3,(H,31,32)
InChIKeyKJBNSFSWLWFEJY-UHFFFAOYSA-N
MW450.46 g/mol
LogP6.42
Rot. Bonds5

About 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 175159865) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID175159865
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Name7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NC(C)c3ccccn3)cc2c1
InChIInChI=1S/C26H21F3N2O2/c1-16(24-5-3-4-12-30-24)31-25(32)18-8-11-22-19(13-18)14-21(33-2)15-23(22)17-6-9-20(10-7-17)26(27,28)29/h3-16H,1-2H3,(H,31,32)
InChIKeyKJBNSFSWLWFEJY-UHFFFAOYSA-N
XLogP6.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-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 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 175159865) is 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is COc1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NC(C)c3ccccn3)cc2c1.
What is the InChIKey of 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is KJBNSFSWLWFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c1-16(24-5-3-4-12-30-24)31-25(32)18-8-11-22-19(13-18)14-21(33-2)15-23(22)17-6-9-20(10-7-17)26(27,28)29/h3-16H,1-2H3,(H,31,32).
What are the key properties of 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 175159865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).