N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide

C21H18N4O — CID 166628886

IUPACN-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NC(Cn1cncn1)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H18N4O/c26-21(19-12-6-10-16-7-4-5-11-18(16)19)24-20(13-25-15-22-14-23-25)17-8-2-1-3-9-17/h1-12,14-15,20H,13H2,(H,24,26)
InChIKeyQGSVJJTWTMXKDZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.60
Rot. Bonds5

About N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide

N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 166628886) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide
PubChem CID166628886
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NC(Cn1cncn1)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H18N4O/c26-21(19-12-6-10-16-7-4-5-11-18(16)19)24-20(13-25-15-22-14-23-25)17-8-2-1-3-9-17/h1-12,14-15,20H,13H2,(H,24,26)
InChIKeyQGSVJJTWTMXKDZ-UHFFFAOYSA-N
XLogP3.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-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 N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide (CID 166628886) is N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide is O=C(NC(Cn1cncn1)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is QGSVJJTWTMXKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(19-12-6-10-16-7-4-5-11-18(16)19)24-20(13-25-15-22-14-23-25)17-8-2-1-3-9-17/h1-12,14-15,20H,13H2,(H,24,26).
What are the key properties of N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide?
N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 166628886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).