8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide

C26H25N3O6 — CID 41241243

IUPAC8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc4cccc(OCC)c4oc3=O)n2)cc1
InChIInChI=1S/C26H25N3O6/c1-3-33-19-10-8-17(9-11-19)21-12-13-23(30)29(28-21)15-14-27-25(31)20-16-18-6-5-7-22(34-4-2)24(18)35-26(20)32/h5-13,16H,3-4,14-15H2,1-2H3,(H,27,31)
InChIKeyMSPODNAHIHIJLO-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.24
Rot. Bonds9

About 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide

8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide (PubChem CID 41241243) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
PubChem CID41241243
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc4cccc(OCC)c4oc3=O)n2)cc1
InChIInChI=1S/C26H25N3O6/c1-3-33-19-10-8-17(9-11-19)21-12-13-23(30)29(28-21)15-14-27-25(31)20-16-18-6-5-7-22(34-4-2)24(18)35-26(20)32/h5-13,16H,3-4,14-15H2,1-2H3,(H,27,31)
InChIKeyMSPODNAHIHIJLO-UHFFFAOYSA-N
XLogP3.24
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121058919
8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide
CID 121033378
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 16820327
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzamide
CID 41241135
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 41241252
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4-difluorobenzamide
CID 41241218
8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119543
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-8-ethoxy-2-oxochromene-3-carboxamide
CID 121120267
3-bromo-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241203
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
2,4-dichloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241199
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-iodobenzamide
CID 41241225

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide (CID 41241243) is 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide is CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc4cccc(OCC)c4oc3=O)n2)cc1.
What is the InChIKey of 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is MSPODNAHIHIJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-3-33-19-10-8-17(9-11-19)21-12-13-23(30)29(28-21)15-14-27-25(31)20-16-18-6-5-7-22(34-4-2)24(18)35-26(20)32/h5-13,16H,3-4,14-15H2,1-2H3,(H,27,31).
What are the key properties of 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide?
8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 41241243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).