3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide

C18H15N3O3 — CID 90017984

IUPAC3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide
SMILESCc1cc(=O)[nH]nc1-c1cc(C(N)=O)ccc1Oc1ccccc1
InChIInChI=1S/C18H15N3O3/c1-11-9-16(22)20-21-17(11)14-10-12(18(19)23)7-8-15(14)24-13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,23)(H,20,22)
InChIKeyMVIOBRHCNKUGCO-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide

3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide (PubChem CID 90017984) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide.

Molecular Properties

Compound Name3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide
PubChem CID90017984
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide
SMILESCc1cc(=O)[nH]nc1-c1cc(C(N)=O)ccc1Oc1ccccc1
InChIInChI=1S/C18H15N3O3/c1-11-9-16(22)20-21-17(11)14-10-12(18(19)23)7-8-15(14)24-13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,23)(H,20,22)
InChIKeyMVIOBRHCNKUGCO-UHFFFAOYSA-N
XLogP2.64
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide
CID 90017256
4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzoic acid
CID 90017764
N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide
CID 90033268
4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide
CID 151516900
[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
CID 23054764
methyl 4-methyl-3-phenoxybenzoate
CID 15210812
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
CID 174444931
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
3-[4-(5-carbamoyl-2-phenylphenyl)phenyl]-4-phenylbenzamide
CID 141346150
3,4-diphenoxybenzoic acid
CID 70590459

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide?
The IUPAC name of 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide (CID 90017984) is 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide.
What is the SMILES notation for 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide?
The canonical SMILES for 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide is Cc1cc(=O)[nH]nc1-c1cc(C(N)=O)ccc1Oc1ccccc1.
What is the InChIKey of 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide?
The InChIKey is MVIOBRHCNKUGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-9-16(22)20-21-17(11)14-10-12(18(19)23)7-8-15(14)24-13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,23)(H,20,22).
What are the key properties of 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide?
3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide has a molecular weight of 321.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide is sourced from PubChem (CID 90017984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).