4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide

C13H12N4O2 — CID 58946084

IUPAC4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
SMILESN/C(=N\O)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C13H12N4O2/c14-12(17-19)9-1-3-10(4-2-9)13(18)16-11-5-7-15-8-6-11/h1-8,19H,(H2,14,17)(H,15,16,18)
InChIKeyVHCYDMXNESBJMT-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.43
Rot. Bonds3

About 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide

4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide (PubChem CID 58946084) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
PubChem CID58946084
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
SMILESN/C(=N\O)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C13H12N4O2/c14-12(17-19)9-1-3-10(4-2-9)13(18)16-11-5-7-15-8-6-11/h1-8,19H,(H2,14,17)(H,15,16,18)
InChIKeyVHCYDMXNESBJMT-UHFFFAOYSA-N
XLogP1.43
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.43
H-Bond Donors ≤ 53
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'}

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Related Compounds

4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 107586259
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107690793
4-(1,4-diamino-1-oxobutan-2-yl)-N-pyridin-4-ylbenzamide
CID 174561502
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide (CID 58946084) is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide is N/C(=N\O)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide?
The InChIKey is VHCYDMXNESBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-12(17-19)9-1-3-10(4-2-9)13(18)16-11-5-7-15-8-6-11/h1-8,19H,(H2,14,17)(H,15,16,18).
What are the key properties of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide?
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide has a molecular weight of 256.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 58946084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).