3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide

C14H13N3O3 — CID 141074265

IUPAC3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
SMILESCOc1ccc(-c2cccc(C(=O)CC(N)=O)c2)nn1
InChIInChI=1S/C14H13N3O3/c1-20-14-6-5-11(16-17-14)9-3-2-4-10(7-9)12(18)8-13(15)19/h2-7H,8H2,1H3,(H2,15,19)
InChIKeyHMHBWEIBZRYMLW-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.21
Rot. Bonds5

About 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide

3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide (PubChem CID 141074265) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
PubChem CID141074265
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
SMILESCOc1ccc(-c2cccc(C(=O)CC(N)=O)c2)nn1
InChIInChI=1S/C14H13N3O3/c1-20-14-6-5-11(16-17-14)9-3-2-4-10(7-9)12(18)8-13(15)19/h2-7H,8H2,1H3,(H2,15,19)
InChIKeyHMHBWEIBZRYMLW-UHFFFAOYSA-N
XLogP1.21
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
CID 134803411
[3-(6-methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
[5-(dimethylamino)-2-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid
CID 22317396
methyl 3-(6-aminopyridazin-3-yl)benzoate
CID 86682701
4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
CID 141074255
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide?
The IUPAC name of 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide (CID 141074265) is 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide.
What is the SMILES notation for 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide?
The canonical SMILES for 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide is COc1ccc(-c2cccc(C(=O)CC(N)=O)c2)nn1.
What is the InChIKey of 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide?
The InChIKey is HMHBWEIBZRYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14-6-5-11(16-17-14)9-3-2-4-10(7-9)12(18)8-13(15)19/h2-7H,8H2,1H3,(H2,15,19).
What are the key properties of 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide?
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide has a molecular weight of 271.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide is sourced from PubChem (CID 141074265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).