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

C16H15N3O2 — CID 17413839

IUPAC4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H15N3O2/c20-15-2-1-11-19(15)14-5-3-12(4-6-14)16(21)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,21)
InChIKeyCGADSDVMIXPFJV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.46
Rot. Bonds3

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

4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide (PubChem CID 17413839) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
PubChem CID17413839
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H15N3O2/c20-15-2-1-11-19(15)14-5-3-12(4-6-14)16(21)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,21)
InChIKeyCGADSDVMIXPFJV-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide (CID 17413839) is 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide?
The InChIKey is CGADSDVMIXPFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-2-1-11-19(15)14-5-3-12(4-6-14)16(21)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,21).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide?
4-(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 4-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 17413839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).