1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide

C24H24N6O — CID 121103839

IUPAC1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cccc4ccccc34)C2)nn1
InChIInChI=1S/C24H24N6O/c1-17-25-13-15-30(17)23-12-11-22(27-28-23)29-14-5-8-19(16-29)24(31)26-21-10-4-7-18-6-2-3-9-20(18)21/h2-4,6-7,9-13,15,19H,5,8,14,16H2,1H3,(H,26,31)
InChIKeyLDABCZWYGLXFTF-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.98
Rot. Bonds4

About 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide

1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 121103839) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID121103839
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cccc4ccccc34)C2)nn1
InChIInChI=1S/C24H24N6O/c1-17-25-13-15-30(17)23-12-11-22(27-28-23)29-14-5-8-19(16-29)24(31)26-21-10-4-7-18-6-2-3-9-20(18)21/h2-4,6-7,9-13,15,19H,5,8,14,16H2,1H3,(H,26,31)
InChIKeyLDABCZWYGLXFTF-UHFFFAOYSA-N
XLogP3.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide
CID 121103941
methyl 2-[[1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121103795
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide
CID 121103913
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
N-(3-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103828
N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103793
1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 46507687
N-naphthalen-1-yl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601037
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121103832
N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103999
N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103838

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 121103839) is 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide is Cc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cccc4ccccc34)C2)nn1.
What is the InChIKey of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is LDABCZWYGLXFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-25-13-15-30(17)23-12-11-22(27-28-23)29-14-5-8-19(16-29)24(31)26-21-10-4-7-18-6-2-3-9-20(18)21/h2-4,6-7,9-13,15,19H,5,8,14,16H2,1H3,(H,26,31).
What are the key properties of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 121103839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).