6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide

C17H17N3O4 — CID 29365197

IUPAC6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H17N3O4/c21-15-7-5-12(19-20-15)16(22)18-11-4-6-13-14(10-11)24-17(23-13)8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,22)(H,20,21)
InChIKeyIMSVABQOZPJIAB-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.45
Rot. Bonds2

About 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide

6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide (PubChem CID 29365197) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide
PubChem CID29365197
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H17N3O4/c21-15-7-5-12(19-20-15)16(22)18-11-4-6-13-14(10-11)24-17(23-13)8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,22)(H,20,21)
InChIKeyIMSVABQOZPJIAB-UHFFFAOYSA-N
XLogP2.45
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-2-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 166428021
2-bromo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 24563091
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086
2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
CID 26757505
5-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylthiophene-2-carboxamide
CID 29365310
2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide
CID 86913347
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
2-iodo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26757516
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
CID 42280319
1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 47078302
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide (CID 29365197) is 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide?
The InChIKey is IMSVABQOZPJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-15-7-5-12(19-20-15)16(22)18-11-4-6-13-14(10-11)24-17(23-13)8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,22)(H,20,21).
What are the key properties of 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide?
6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 29365197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).