3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C20H20N4O2 — CID 119059575

IUPAC3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESN#Cc1ccnc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)c1
InChIInChI=1S/C20H20N4O2/c21-14-15-7-9-22-18(12-15)16-4-1-5-17(13-16)20(26)23-8-3-11-24-10-2-6-19(24)25/h1,4-5,7,9,12-13H,2-3,6,8,10-11H2,(H,23,26)
InChIKeyYZSBQXVVTWLBDU-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.36
Rot. Bonds6

About 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 119059575) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID119059575
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESN#Cc1ccnc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)c1
InChIInChI=1S/C20H20N4O2/c21-14-15-7-9-22-18(12-15)16-4-1-5-17(13-16)20(26)23-8-3-11-24-10-2-6-19(24)25/h1,4-5,7,9,12-13H,2-3,6,8,10-11H2,(H,23,26)
InChIKeyYZSBQXVVTWLBDU-UHFFFAOYSA-N
XLogP2.36
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 119059575) is 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is N#Cc1ccnc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)c1.
What is the InChIKey of 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is YZSBQXVVTWLBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-14-15-7-9-22-18(12-15)16-4-1-5-17(13-16)20(26)23-8-3-11-24-10-2-6-19(24)25/h1,4-5,7,9,12-13H,2-3,6,8,10-11H2,(H,23,26).
What are the key properties of 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 119059575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).