1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide

C18H22N4O3 — CID 53070446

IUPAC1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(=O)n(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C18H22N4O3/c1-19-18(24)13-9-11-21(12-10-13)16-7-8-17(23)22(20-16)14-3-5-15(25-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,19,24)
InChIKeyUCJSWOCRZZXHFU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.20
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide

1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 53070446) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide
PubChem CID53070446
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(=O)n(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C18H22N4O3/c1-19-18(24)13-9-11-21(12-10-13)16-7-8-17(23)22(20-16)14-3-5-15(25-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,19,24)
InChIKeyUCJSWOCRZZXHFU-UHFFFAOYSA-N
XLogP1.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070434
N-benzyl-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53006530
N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070510
1-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxylic acid
CID 53214226
N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070617
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070575
N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070467
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 53070721
6-[4-(2-bromobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081681
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 53071190
N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832171
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53070485

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide (CID 53070446) is 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc(=O)n(-c3ccc(OC)cc3)n2)CC1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is UCJSWOCRZZXHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-19-18(24)13-9-11-21(12-10-13)16-7-8-17(23)22(20-16)14-3-5-15(25-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,19,24).
What are the key properties of 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide?
1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53070446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).