3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide

C12H14N4O3 — CID 106197351

IUPAC3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESN/C(=N/O)c1cccc(C(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C12H14N4O3/c13-11(16-19)7-2-1-3-8(4-7)12(18)15-9-5-10(17)14-6-9/h1-4,9,19H,5-6H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyFDLLQBOEQZKYCJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.60
Rot. Bonds3

About 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide

3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 106197351) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID106197351
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESN/C(=N/O)c1cccc(C(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C12H14N4O3/c13-11(16-19)7-2-1-3-8(4-7)12(18)15-9-5-10(17)14-6-9/h1-4,9,19H,5-6H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyFDLLQBOEQZKYCJ-UHFFFAOYSA-N
XLogP-0.60
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
4-(N'-hydroxycarbamimidoyl)-N-(6-oxopiperidin-3-yl)benzamide
CID 77004005
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 77054227
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
3-[(E)-N'-hydroxycarbamimidoyl]-N-(thiolan-3-yl)benzamide
CID 103064332
N-[(3R)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 95985002
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 56765647
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide (CID 106197351) is 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide is N/C(=N/O)c1cccc(C(=O)NC2CNC(=O)C2)c1.
What is the InChIKey of 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is FDLLQBOEQZKYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-11(16-19)7-2-1-3-8(4-7)12(18)15-9-5-10(17)14-6-9/h1-4,9,19H,5-6H2,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide?
3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 262.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 106197351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).