1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide

C18H24N6O2 — CID 121118653

IUPAC1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCCCn3ncccc3=O)C2)nn1
InChIInChI=1S/C18H24N6O2/c1-14-7-8-16(22-21-14)23-11-3-5-15(13-23)18(26)19-9-4-12-24-17(25)6-2-10-20-24/h2,6-8,10,15H,3-5,9,11-13H2,1H3,(H,19,26)
InChIKeyFQNSYWFAPJLCAQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.76
Rot. Bonds6

About 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide

1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 121118653) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID121118653
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCCCn3ncccc3=O)C2)nn1
InChIInChI=1S/C18H24N6O2/c1-14-7-8-16(22-21-14)23-11-3-5-15(13-23)18(26)19-9-4-12-24-17(25)6-2-10-20-24/h2,6-8,10,15H,3-5,9,11-13H2,1H3,(H,19,26)
InChIKeyFQNSYWFAPJLCAQ-UHFFFAOYSA-N
XLogP0.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.76
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-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 90520957
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118608
N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118540
N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118700
N-[(4-fluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118477
1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 121118591
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 92888526
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913367
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601129
N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118648

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide (CID 121118653) is 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)NCCCn3ncccc3=O)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is FQNSYWFAPJLCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-7-8-16(22-21-14)23-11-3-5-15(13-23)18(26)19-9-4-12-24-17(25)6-2-10-20-24/h2,6-8,10,15H,3-5,9,11-13H2,1H3,(H,19,26).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide?
1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 121118653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).