N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide

C12H13N3O4 — CID 78270217

IUPACN-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C12H13N3O4/c16-11-4-2-8(14-15-11)12(17)13-7-1-3-9-10(5-7)19-6-18-9/h1,3,5,8,14H,2,4,6H2,(H,13,17)(H,15,16)
InChIKeyLEADUFGACFSJQE-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.14
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide (PubChem CID 78270217) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
PubChem CID78270217
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C12H13N3O4/c16-11-4-2-8(14-15-11)12(17)13-7-1-3-9-10(5-7)19-6-18-9/h1,3,5,8,14H,2,4,6H2,(H,13,17)(H,15,16)
InChIKeyLEADUFGACFSJQE-UHFFFAOYSA-N
XLogP0.14
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-oxodiazinane-3-carboxamide
CID 78211627
N-(1,3-benzodioxol-5-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798048
6-oxo-N-phenyldiazinane-3-carboxamide
CID 78211041
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
CID 77046165
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76891863
N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide
CID 78507830
N-(4-morpholin-4-ylphenyl)-6-oxodiazinane-3-carboxamide
CID 73251784
N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
CID 63103835
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide (CID 78270217) is N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide is O=C1CCC(C(=O)Nc2ccc3c(c2)OCO3)NN1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide?
The InChIKey is LEADUFGACFSJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-11-4-2-8(14-15-11)12(17)13-7-1-3-9-10(5-7)19-6-18-9/h1,3,5,8,14H,2,4,6H2,(H,13,17)(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide is sourced from PubChem (CID 78270217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).