4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide

C17H17N3O2 — CID 3245589

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H17N3O2/c21-16-5-3-11-20(16)15-8-6-13(7-9-15)17(22)19-12-14-4-1-2-10-18-14/h1-2,4,6-10H,3,5,11-12H2,(H,19,22)
InChIKeyMMVRPEHIALDKBS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.14
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide

4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 3245589) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID3245589
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H17N3O2/c21-16-5-3-11-20(16)15-8-6-13(7-9-15)17(22)19-12-14-4-1-2-10-18-14/h1-2,4,6-10H,3,5,11-12H2,(H,19,22)
InChIKeyMMVRPEHIALDKBS-UHFFFAOYSA-N
XLogP2.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.14
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-2-ylmethyl)benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 3245589) is 4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MMVRPEHIALDKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-5-3-11-20(16)15-8-6-13(7-9-15)17(22)19-12-14-4-1-2-10-18-14/h1-2,4,6-10H,3,5,11-12H2,(H,19,22).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide?
4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.14, 4 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-2-ylmethyl)benzamide is sourced from PubChem (CID 3245589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).