N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide

C21H15N3O4 — CID 7593527

IUPACN-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)nn1
InChIInChI=1S/C21H15N3O4/c1-27-19-10-9-17(23-24-19)13-6-4-7-15(11-13)22-20(25)16-12-14-5-2-3-8-18(14)28-21(16)26/h2-12H,1H3,(H,22,25)
InChIKeyLGPFYJLTEZXNEV-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.51
Rot. Bonds4

About N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide

N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 7593527) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID7593527
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC NameN-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)nn1
InChIInChI=1S/C21H15N3O4/c1-27-19-10-9-17(23-24-19)13-6-4-7-15(11-13)22-20(25)16-12-14-5-2-3-8-18(14)28-21(16)26/h2-12H,1H3,(H,22,25)
InChIKeyLGPFYJLTEZXNEV-UHFFFAOYSA-N
XLogP3.51
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide
CID 110745871
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814409
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(3-ethynylphenyl)-2-oxochromene-3-carboxamide
CID 2732913
6-bromo-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-oxochromene-3-carboxamide
CID 41077653
3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593494
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide (CID 7593527) is N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide is COc1ccc(-c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)nn1.
What is the InChIKey of N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is LGPFYJLTEZXNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-27-19-10-9-17(23-24-19)13-6-4-7-15(11-13)22-20(25)16-12-14-5-2-3-8-18(14)28-21(16)26/h2-12H,1H3,(H,22,25).
What are the key properties of N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide?
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 7593527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).