N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide

C22H23N5O2 — CID 146038056

IUPACN-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)n(-c2ccccc2C)n1
InChIInChI=1S/C22H23N5O2/c1-15-7-3-4-10-18(15)27-22(24-19(25-27)14-20(28)23-2)16-8-5-9-17(13-16)26-12-6-11-21(26)29/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,28)
InChIKeyCPKNLLIUCNQEBF-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide

N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 146038056) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID146038056
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)n(-c2ccccc2C)n1
InChIInChI=1S/C22H23N5O2/c1-15-7-3-4-10-18(15)27-22(24-19(25-27)14-20(28)23-2)16-8-5-9-17(13-16)26-12-6-11-21(26)29/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,28)
InChIKeyCPKNLLIUCNQEBF-UHFFFAOYSA-N
XLogP2.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
CID 146039736
N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9420953
1-[3-[2-(3-hydroxypropyl)-5-(2-methylbutyl)-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 146046898
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 146039999
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298
1-[3-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 154569900
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686974
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
6-(3-methylphenyl)-2-oxo-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 55766212
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728498

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide (CID 146038056) is N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide is CNC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)n(-c2ccccc2C)n1.
What is the InChIKey of N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CPKNLLIUCNQEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-7-3-4-10-18(15)27-22(24-19(25-27)14-20(28)23-2)16-8-5-9-17(13-16)26-12-6-11-21(26)29/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,28).
What are the key properties of N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide?
N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146038056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).