N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

C20H26N4O4 — CID 53070434

IUPACN-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2ccc(=O)n(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C20H26N4O4/c1-27-14-11-21-20(26)15-9-12-23(13-10-15)18-7-8-19(25)24(22-18)16-3-5-17(28-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,21,26)
InChIKeySSTNVCGWOTTYRS-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.22
Rot. Bonds7

About N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53070434) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53070434
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2ccc(=O)n(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C20H26N4O4/c1-27-14-11-21-20(26)15-9-12-23(13-10-15)18-7-8-19(25)24(22-18)16-3-5-17(28-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,21,26)
InChIKeySSTNVCGWOTTYRS-UHFFFAOYSA-N
XLogP1.22
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 53070446
N-benzyl-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53006530
N-(2-methoxyethyl)-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783079
N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070510
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53071219
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53070485
1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 53038507
N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070467
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 53070807
1-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxylic acid
CID 53214226
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53070496
N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070617

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (CID 53070434) is N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2ccc(=O)n(-c3ccc(OC)cc3)n2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is SSTNVCGWOTTYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-14-11-21-20(26)15-9-12-23(13-10-15)18-7-8-19(25)24(22-18)16-3-5-17(28-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,21,26).
What are the key properties of N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53070434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).