4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

C18H18N4O2 — CID 5406284

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccn1
InChIInChI=1S/C18H18N4O2/c1-13(16-5-2-3-11-19-16)20-21-18(24)14-7-9-15(10-8-14)22-12-4-6-17(22)23/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24)/b20-13-
InChIKeyROYRXEJLFXXTPA-MOSHPQCFSA-N
MW322.37 g/mol
LogP2.36
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 5406284) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID5406284
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccn1
InChIInChI=1S/C18H18N4O2/c1-13(16-5-2-3-11-19-16)20-21-18(24)14-7-9-15(10-8-14)22-12-4-6-17(22)23/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24)/b20-13-
InChIKeyROYRXEJLFXXTPA-MOSHPQCFSA-N
XLogP2.36
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 18108449
4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
CID 790502
4-(2-oxopyrrolidin-1-yl)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 792183
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
4-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8826078
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8860986
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41375622
N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 8826557
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (CID 5406284) is 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccn1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is ROYRXEJLFXXTPA-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(16-5-2-3-11-19-16)20-21-18(24)14-7-9-15(10-8-14)22-12-4-6-17(22)23/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24)/b20-13-.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 5406284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).