N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide

C13H15N3O3 — CID 78507830

IUPACN-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(=O)NN2)c1
InChIInChI=1S/C13H15N3O3/c1-8(17)9-3-2-4-10(7-9)14-13(19)11-5-6-12(18)16-15-11/h2-4,7,11,15H,5-6H2,1H3,(H,14,19)(H,16,18)
InChIKeyQMZMHNHQTPADIH-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.61
Rot. Bonds3

About N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide

N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide (PubChem CID 78507830) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide
PubChem CID78507830
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(=O)NN2)c1
InChIInChI=1S/C13H15N3O3/c1-8(17)9-3-2-4-10(7-9)14-13(19)11-5-6-12(18)16-15-11/h2-4,7,11,15H,5-6H2,1H3,(H,14,19)(H,16,18)
InChIKeyQMZMHNHQTPADIH-UHFFFAOYSA-N
XLogP0.61
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide (CID 78507830) is N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCC(=O)NN2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide?
The InChIKey is QMZMHNHQTPADIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(17)9-3-2-4-10(7-9)14-13(19)11-5-6-12(18)16-15-11/h2-4,7,11,15H,5-6H2,1H3,(H,14,19)(H,16,18).
What are the key properties of N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide?
N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide is sourced from PubChem (CID 78507830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).