3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide

C15H17N5O2 — CID 124873611

IUPAC3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cnnn2C)C(=O)N1c1ccccc1
InChIInChI=1S/C15H17N5O2/c1-10-8-12(17-14(21)13-9-16-18-19(13)2)15(22)20(10)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,17,21)/t10-,12+/m1/s1
InChIKeyDQXSZXNQNCVOHX-PWSUYJOCSA-N
MW299.33 g/mol
LogP0.74
Rot. Bonds3

About 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide

3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide (PubChem CID 124873611) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide
PubChem CID124873611
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cnnn2C)C(=O)N1c1ccccc1
InChIInChI=1S/C15H17N5O2/c1-10-8-12(17-14(21)13-9-16-18-19(13)2)15(22)20(10)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,17,21)/t10-,12+/m1/s1
InChIKeyDQXSZXNQNCVOHX-PWSUYJOCSA-N
XLogP0.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carboxamide
CID 71913880
N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-5-carboxamide
CID 97091185
5-amino-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 120636503
2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 146085997
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925
(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 95778093
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119336511
2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120636505
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065674
2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 124626029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide (CID 124873611) is 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide is C[C@@H]1C[C@H](NC(=O)c2cnnn2C)C(=O)N1c1ccccc1.
What is the InChIKey of 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide?
The InChIKey is DQXSZXNQNCVOHX-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-8-12(17-14(21)13-9-16-18-19(13)2)15(22)20(10)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,17,21)/t10-,12+/m1/s1.
What are the key properties of 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide?
3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 124873611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).