2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide

C21H21N5O2 — CID 166395570

IUPAC2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide
SMILESCc1ccc(-c2cn(CC3CNC(=O)C3)nn2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H21N5O2/c1-14-7-8-16(10-18(14)21(28)23-17-5-3-2-4-6-17)19-13-26(25-24-19)12-15-9-20(27)22-11-15/h2-8,10,13,15H,9,11-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyKDRZNRIULSLEHY-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.64
Rot. Bonds5

About 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide

2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide (PubChem CID 166395570) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide
PubChem CID166395570
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide
SMILESCc1ccc(-c2cn(CC3CNC(=O)C3)nn2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H21N5O2/c1-14-7-8-16(10-18(14)21(28)23-17-5-3-2-4-6-17)19-13-26(25-24-19)12-15-9-20(27)22-11-15/h2-8,10,13,15H,9,11-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyKDRZNRIULSLEHY-UHFFFAOYSA-N
XLogP2.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[(2,2-dimethylpyrrolidin-3-yl)methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166398627
2-methyl-5-[1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)triazol-4-yl]-N-phenylbenzamide
CID 166310965
2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide
CID 166398596
2-methyl-N-phenyl-5-[1-(pyridazin-3-ylmethyl)triazol-4-yl]benzamide
CID 166400331
5-[1-[(3,3-dimethylazetidin-2-yl)methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 166348550
5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 167811893
5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 167960102
5-[1-(3,3-difluoro-4-hydroxybutyl)triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166303990
2-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]-N-phenylbenzamide
CID 166400332
5-[1-[2-(1,4-dioxan-2-yl)ethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166296610
5-[1-[(2S)-2-aminopropyl]triazol-4-yl]-2-methyl-N-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 166355268
5-[1-[(1R,2R)-2-hydroxycyclohexyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166400344

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide?
The IUPAC name of 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide (CID 166395570) is 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide.
What is the SMILES notation for 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide?
The canonical SMILES for 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide is Cc1ccc(-c2cn(CC3CNC(=O)C3)nn2)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide?
The InChIKey is KDRZNRIULSLEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-7-8-16(10-18(14)21(28)23-17-5-3-2-4-6-17)19-13-26(25-24-19)12-15-9-20(27)22-11-15/h2-8,10,13,15H,9,11-12H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide?
2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 166395570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).