N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide

C22H23N5O2 — CID 650744

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C22H23N5O2/c28-21-7-4-13-27(21)19-10-8-18(9-11-19)15-23-22(29)20-16-26(25-24-20)14-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,16H,4,7,12-15H2,(H,23,29)
InChIKeyBOKRSQDNHNHPRM-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.58
Rot. Bonds7

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 650744) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide
PubChem CID650744
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C22H23N5O2/c28-21-7-4-13-27(21)19-10-8-18(9-11-19)15-23-22(29)20-16-26(25-24-20)14-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,16H,4,7,12-15H2,(H,23,29)
InChIKeyBOKRSQDNHNHPRM-UHFFFAOYSA-N
XLogP2.58
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-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 N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide (CID 650744) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(CCc2ccccc2)nn1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is BOKRSQDNHNHPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21-7-4-13-27(21)19-10-8-18(9-11-19)15-23-22(29)20-16-26(25-24-20)14-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,16H,4,7,12-15H2,(H,23,29).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 650744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).