2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide

C18H26N4O2 — CID 133132152

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide
SMILESCC(C)[C@@H]1CN(c2ccncc2)C[C@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C18H26N4O2/c1-13(2)15-10-22(14-5-7-19-8-6-14)11-16(15)20-17(23)12-21-9-3-4-18(21)24/h5-8,13,15-16H,3-4,9-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyZVQWUAZZARMMEL-JKSUJKDBSA-N
MW330.43 g/mol
LogP1.28
Rot. Bonds5

About 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide

2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide (PubChem CID 133132152) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide
PubChem CID133132152
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide
SMILESCC(C)[C@@H]1CN(c2ccncc2)C[C@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C18H26N4O2/c1-13(2)15-10-22(14-5-7-19-8-6-14)11-16(15)20-17(23)12-21-9-3-4-18(21)24/h5-8,13,15-16H,3-4,9-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyZVQWUAZZARMMEL-JKSUJKDBSA-N
XLogP1.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 133116687
2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133110398
2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 156605526
2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134698289
2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
CID 72901641
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146516
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146517
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 31360865

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide (CID 133132152) is 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide is CC(C)[C@@H]1CN(c2ccncc2)C[C@H]1NC(=O)CN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide?
The InChIKey is ZVQWUAZZARMMEL-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)15-10-22(14-5-7-19-8-6-14)11-16(15)20-17(23)12-21-9-3-4-18(21)24/h5-8,13,15-16H,3-4,9-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133132152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).