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

C19H19N3O5 — CID 121058919

IUPAC8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCn3nc(C)ccc3=O)c(=O)oc12
InChIInChI=1S/C19H19N3O5/c1-3-26-15-6-4-5-13-11-14(19(25)27-17(13)15)18(24)20-9-10-22-16(23)8-7-12(2)21-22/h4-8,11H,3,9-10H2,1-2H3,(H,20,24)
InChIKeySMIWWRFJLQABKR-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.49
Rot. Bonds6

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

8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 121058919) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID121058919
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCn3nc(C)ccc3=O)c(=O)oc12
InChIInChI=1S/C19H19N3O5/c1-3-26-15-6-4-5-13-11-14(19(25)27-17(13)15)18(24)20-9-10-22-16(23)8-7-12(2)21-22/h4-8,11H,3,9-10H2,1-2H3,(H,20,24)
InChIKeySMIWWRFJLQABKR-UHFFFAOYSA-N
XLogP1.49
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.49
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-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 41241243
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
8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide
CID 121033378
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
3-acetyl-8-ethoxychromen-2-one
CID 3266617
8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide
CID 90546317
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide (CID 121058919) is 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide is CCOc1cccc2cc(C(=O)NCCn3nc(C)ccc3=O)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is SMIWWRFJLQABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-26-15-6-4-5-13-11-14(19(25)27-17(13)15)18(24)20-9-10-22-16(23)8-7-12(2)21-22/h4-8,11H,3,9-10H2,1-2H3,(H,20,24).
What are the key properties of 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 121058919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).