5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one

C19H23N3O3 — CID 18568903

IUPAC5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCCCC1C
InChIInChI=1S/C19H23N3O3/c1-13-8-4-5-10-15(13)22-17(23)12-16(25-3)18(20-22)19(24)21-11-7-6-9-14(21)2/h4-5,8,10,12,14H,6-7,9,11H2,1-3H3
InChIKeyTYVLLHGTNNHXFP-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.56
Rot. Bonds3

About 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one

5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one (PubChem CID 18568903) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
PubChem CID18568903
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCCCC1C
InChIInChI=1S/C19H23N3O3/c1-13-8-4-5-10-15(13)22-17(23)12-16(25-3)18(20-22)19(24)21-11-7-6-9-14(21)2/h4-5,8,10,12,14H,6-7,9,11H2,1-3H3
InChIKeyTYVLLHGTNNHXFP-UHFFFAOYSA-N
XLogP2.56
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 8553150
5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one
CID 8554639
4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
CID 142773071
5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
CID 40693658
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 8554482
2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 945526
1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
CID 51644039
N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794
6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122113801
N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555401
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233
(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 142809150

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one (CID 18568903) is 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one is COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCCCC1C.
What is the InChIKey of 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is TYVLLHGTNNHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-8-4-5-10-15(13)22-17(23)12-16(25-3)18(20-22)19(24)21-11-7-6-9-14(21)2/h4-5,8,10,12,14H,6-7,9,11H2,1-3H3.
What are the key properties of 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 18568903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).