3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide

C18H15N3O3 — CID 90017256

IUPAC3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide
SMILESCn1nc(-c2cc(C(N)=O)ccc2Oc2ccccc2)ccc1=O
InChIInChI=1S/C18H15N3O3/c1-21-17(22)10-8-15(20-21)14-11-12(18(19)23)7-9-16(14)24-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,23)
InChIKeyPNZLIGRAVQCYDI-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.34
Rot. Bonds4

About 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide

3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide (PubChem CID 90017256) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide.

Molecular Properties

Compound Name3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide
PubChem CID90017256
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide
SMILESCn1nc(-c2cc(C(N)=O)ccc2Oc2ccccc2)ccc1=O
InChIInChI=1S/C18H15N3O3/c1-21-17(22)10-8-15(20-21)14-11-12(18(19)23)7-9-16(14)24-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,23)
InChIKeyPNZLIGRAVQCYDI-UHFFFAOYSA-N
XLogP2.34
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzoic acid
CID 90017764
3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide
CID 90017984
4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate
CID 140623641
N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623694
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one
CID 121497912
2-methyl-6-(4-phenylphenyl)pyridazin-3-one
CID 57150273
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide
CID 151516900
4-phenoxy-2,6-di(propan-2-yl)benzamide
CID 174677959

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide?
The IUPAC name of 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide (CID 90017256) is 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide.
What is the SMILES notation for 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide?
The canonical SMILES for 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide is Cn1nc(-c2cc(C(N)=O)ccc2Oc2ccccc2)ccc1=O.
What is the InChIKey of 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide?
The InChIKey is PNZLIGRAVQCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21-17(22)10-8-15(20-21)14-11-12(18(19)23)7-9-16(14)24-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,23).
What are the key properties of 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide?
3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide has a molecular weight of 321.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide is sourced from PubChem (CID 90017256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).