N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C20H17N3O4 — CID 31855931

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H17N3O4/c24-19-9-7-16(22-23(19)15-4-2-1-3-5-15)20(25)21-13-14-6-8-17-18(12-14)27-11-10-26-17/h1-9,12H,10-11,13H2,(H,21,25)
InChIKeyQXYNJWUWWNXADB-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.93
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31855931) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31855931
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H17N3O4/c24-19-9-7-16(22-23(19)15-4-2-1-3-5-15)20(25)21-13-14-6-8-17-18(12-14)27-11-10-26-17/h1-9,12H,10-11,13H2,(H,21,25)
InChIKeyQXYNJWUWWNXADB-UHFFFAOYSA-N
XLogP1.93
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569850
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55797255
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55844382
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 24503215
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 56518374
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323742
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55486564
N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 35325421
N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914926

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31855931) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide is O=C(NCc1ccc2c(c1)OCCO2)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is QXYNJWUWWNXADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-19-9-7-16(22-23(19)15-4-2-1-3-5-15)20(25)21-13-14-6-8-17-18(12-14)27-11-10-26-17/h1-9,12H,10-11,13H2,(H,21,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31855931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).