3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide

C15H13N3O3 — CID 23557297

IUPAC3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
SMILESO=C(/C=C/c1cccc(C(=O)Nc2cccnc2)c1)NO
InChIInChI=1S/C15H13N3O3/c19-14(18-21)7-6-11-3-1-4-12(9-11)15(20)17-13-5-2-8-16-10-13/h1-10,21H,(H,17,20)(H,18,19)/b7-6+
InChIKeySFODCKWTXJFFGV-VOTSOKGWSA-N
MW283.29 g/mol
LogP1.85
Rot. Bonds4

About 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide

3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide (PubChem CID 23557297) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
PubChem CID23557297
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
SMILESO=C(/C=C/c1cccc(C(=O)Nc2cccnc2)c1)NO
InChIInChI=1S/C15H13N3O3/c19-14(18-21)7-6-11-3-1-4-12(9-11)15(20)17-13-5-2-8-16-10-13/h1-10,21H,(H,17,20)(H,18,19)/b7-6+
InChIKeySFODCKWTXJFFGV-VOTSOKGWSA-N
XLogP1.85
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
CID 174203715
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500
3-formamido-N-pyridin-3-ylbenzamide
CID 168654563
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 139378000
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide (CID 23557297) is 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide is O=C(/C=C/c1cccc(C(=O)Nc2cccnc2)c1)NO.
What is the InChIKey of 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide?
The InChIKey is SFODCKWTXJFFGV-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(18-21)7-6-11-3-1-4-12(9-11)15(20)17-13-5-2-8-16-10-13/h1-10,21H,(H,17,20)(H,18,19)/b7-6+.
What are the key properties of 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide?
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide has a molecular weight of 283.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 23557297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).