3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide

C16H15N3O2 — CID 51251631

IUPAC3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H15N3O2/c20-15-5-2-10-19(15)14-4-1-3-12(11-14)16(21)18-13-6-8-17-9-7-13/h1,3-4,6-9,11H,2,5,10H2,(H,17,18,21)
InChIKeyWJEHGSDTNSYSGZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.46
Rot. Bonds3

About 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide

3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide (PubChem CID 51251631) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
PubChem CID51251631
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H15N3O2/c20-15-5-2-10-19(15)14-4-1-3-12(11-14)16(21)18-13-6-8-17-9-7-13/h1,3-4,6-9,11H,2,5,10H2,(H,17,18,21)
InChIKeyWJEHGSDTNSYSGZ-UHFFFAOYSA-N
XLogP2.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 122132406
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110618989
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 155946788
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
3-(2-oxopyrrolidin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217566

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide (CID 51251631) is 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide?
The InChIKey is WJEHGSDTNSYSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-5-2-10-19(15)14-4-1-3-12(11-14)16(21)18-13-6-8-17-9-7-13/h1,3-4,6-9,11H,2,5,10H2,(H,17,18,21).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide?
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide has a molecular weight of 281.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 51251631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).