1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide

C20H20N4O6 — CID 24515498

IUPAC1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide
SMILESCOCCn1nc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)ccc1=O
InChIInChI=1S/C20H20N4O6/c1-28-12-11-24-18(25)10-8-16(23-24)19(26)21-22-20(27)17-9-7-15(30-17)13-29-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyISWRXWSYGSAVEL-UHFFFAOYSA-N
MW412.40 g/mol
LogP1.14
Rot. Bonds8

About 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide

1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide (PubChem CID 24515498) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide
PubChem CID24515498
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Name1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide
SMILESCOCCn1nc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)ccc1=O
InChIInChI=1S/C20H20N4O6/c1-28-12-11-24-18(25)10-8-16(23-24)19(26)21-22-20(27)17-9-7-15(30-17)13-29-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyISWRXWSYGSAVEL-UHFFFAOYSA-N
XLogP1.14
TPSA124.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
1-(2-methoxyethyl)-N'-[2-(4-methoxyphenyl)acetyl]-6-oxopyridazine-3-carbohydrazide
CID 24553901
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
CID 9219810
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
CID 37349424
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide (CID 24515498) is 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide is COCCn1nc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide?
The InChIKey is ISWRXWSYGSAVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-28-12-11-24-18(25)10-8-16(23-24)19(26)21-22-20(27)17-9-7-15(30-17)13-29-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide?
1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide has a molecular weight of 412.40 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide is sourced from PubChem (CID 24515498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).