N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide

C22H18N4O2 — CID 166628034

IUPACN-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide
SMILESO=C(NC(Cn1cncn1)C(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N4O2/c27-21(17-7-2-1-3-8-17)20(13-26-15-23-14-24-26)25-22(28)19-11-10-16-6-4-5-9-18(16)12-19/h1-12,14-15,20H,13H2,(H,25,28)
InChIKeyAGGHZGFMLOMHTF-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.11
Rot. Bonds6

About N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide

N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide (PubChem CID 166628034) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide
PubChem CID166628034
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide
SMILESO=C(NC(Cn1cncn1)C(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N4O2/c27-21(17-7-2-1-3-8-17)20(13-26-15-23-14-24-26)25-22(28)19-11-10-16-6-4-5-9-18(16)12-19/h1-12,14-15,20H,13H2,(H,25,28)
InChIKeyAGGHZGFMLOMHTF-UHFFFAOYSA-N
XLogP3.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]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 N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide (CID 166628034) is N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide is O=C(NC(Cn1cncn1)C(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide?
The InChIKey is AGGHZGFMLOMHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-21(17-7-2-1-3-8-17)20(13-26-15-23-14-24-26)25-22(28)19-11-10-16-6-4-5-9-18(16)12-19/h1-12,14-15,20H,13H2,(H,25,28).
What are the key properties of N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide?
N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 166628034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).