4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide

C18H15N3O4 — CID 108798482

IUPAC4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)Nc2ccccc2)c(O)cc1=O
InChIInChI=1S/C18H15N3O4/c1-25-15-10-6-5-9-13(15)21-16(23)11-14(22)17(20-21)18(24)19-12-7-3-2-4-8-12/h2-11,22H,1H3,(H,19,24)
InChIKeyNPTWJKCRXCEYFV-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.20
Rot. Bonds4

About 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 108798482) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID108798482
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)Nc2ccccc2)c(O)cc1=O
InChIInChI=1S/C18H15N3O4/c1-25-15-10-6-5-9-13(15)21-16(23)11-14(22)17(20-21)18(24)19-12-7-3-2-4-8-12/h2-11,22H,1H3,(H,19,24)
InChIKeyNPTWJKCRXCEYFV-UHFFFAOYSA-N
XLogP2.20
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide (CID 108798482) is 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)Nc2ccccc2)c(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is NPTWJKCRXCEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-25-15-10-6-5-9-13(15)21-16(23)11-14(22)17(20-21)18(24)19-12-7-3-2-4-8-12/h2-11,22H,1H3,(H,19,24).
What are the key properties of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide?
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 108798482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).