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

C23H19N3O5 — CID 16820327

IUPACN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc4ccccc4oc3=O)n2)cc1
InChIInChI=1S/C23H19N3O5/c1-30-17-8-6-15(7-9-17)19-10-11-21(27)26(25-19)13-12-24-22(28)18-14-16-4-2-3-5-20(16)31-23(18)29/h2-11,14H,12-13H2,1H3,(H,24,28)
InChIKeySCQSDVJOLDUQBV-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.46
Rot. Bonds6

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

N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide (PubChem CID 16820327) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
PubChem CID16820327
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc4ccccc4oc3=O)n2)cc1
InChIInChI=1S/C23H19N3O5/c1-30-17-8-6-15(7-9-17)19-10-11-21(27)26(25-19)13-12-24-22(28)18-14-16-4-2-3-5-20(16)31-23(18)29/h2-11,14H,12-13H2,1H3,(H,24,28)
InChIKeySCQSDVJOLDUQBV-UHFFFAOYSA-N
XLogP2.46
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide
CID 121033378
8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 41241243
2-ethylsulfanyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 121033580
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 121033526
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 18569648
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-oxochromene-3-carboxamide
CID 122262283
2-bromo-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methoxybenzamide
CID 121033399
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90515898
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 90516061
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 121033610

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide (CID 16820327) is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide is COc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc4ccccc4oc3=O)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is SCQSDVJOLDUQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-30-17-8-6-15(7-9-17)19-10-11-21(27)26(25-19)13-12-24-22(28)18-14-16-4-2-3-5-20(16)31-23(18)29/h2-11,14H,12-13H2,1H3,(H,24,28).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide?
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16820327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).