8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide

C21H23N5O5 — CID 122321528

IUPAC8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCNc3cc(N4CCOCC4)cnn3)c(=O)oc12
InChIInChI=1S/C21H23N5O5/c1-29-17-4-2-3-14-11-16(21(28)31-19(14)17)20(27)23-6-5-22-18-12-15(13-24-25-18)26-7-9-30-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,22,25)(H,23,27)
InChIKeyQECUBOOLSBNQGH-UHFFFAOYSA-N
MW425.45 g/mol
LogP1.27
Rot. Bonds7

About 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide

8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide (PubChem CID 122321528) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide
PubChem CID122321528
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCNc3cc(N4CCOCC4)cnn3)c(=O)oc12
InChIInChI=1S/C21H23N5O5/c1-29-17-4-2-3-14-11-16(21(28)31-19(14)17)20(27)23-6-5-22-18-12-15(13-24-25-18)26-7-9-30-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,22,25)(H,23,27)
InChIKeyQECUBOOLSBNQGH-UHFFFAOYSA-N
XLogP1.27
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557
2,4,5-trifluoro-3-methoxy-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321243
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide
CID 7224115
2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321685
5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122321690
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4614512
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide
CID 121109126
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]cyclobutanecarboxamide
CID 122321586

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide (CID 122321528) is 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)NCCNc3cc(N4CCOCC4)cnn3)c(=O)oc12.
What is the InChIKey of 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is QECUBOOLSBNQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-29-17-4-2-3-14-11-16(21(28)31-19(14)17)20(27)23-6-5-22-18-12-15(13-24-25-18)26-7-9-30-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide?
8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 122321528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).