1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide

C21H22N4O — CID 121118852

IUPAC1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)nn1
InChIInChI=1S/C21H22N4O/c1-15-9-10-20(24-23-15)25-13-11-17(12-14-25)21(26)22-19-8-4-6-16-5-2-3-7-18(16)19/h2-10,17H,11-14H2,1H3,(H,22,26)
InChIKeyKMUYPGSNZPDACZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.79
Rot. Bonds3

About 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide

1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide (PubChem CID 121118852) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
PubChem CID121118852
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)nn1
InChIInChI=1S/C21H22N4O/c1-15-9-10-20(24-23-15)25-13-11-17(12-14-25)21(26)22-19-8-4-6-16-5-2-3-7-18(16)19/h2-10,17H,11-14H2,1H3,(H,22,26)
InChIKeyKMUYPGSNZPDACZ-UHFFFAOYSA-N
XLogP3.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514093
N-(2,6-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118835
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
N-(2-ethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514089
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 46507687
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide (CID 121118852) is 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide?
The InChIKey is KMUYPGSNZPDACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-9-10-20(24-23-15)25-13-11-17(12-14-25)21(26)22-19-8-4-6-16-5-2-3-7-18(16)19/h2-10,17H,11-14H2,1H3,(H,22,26).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide?
1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 121118852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).