N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C23H22N6O — CID 90514093

IUPACN-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C23H22N6O/c30-23(25-20-8-3-6-17-5-1-2-7-19(17)20)18-11-15-28(16-12-18)21-9-10-22(27-26-21)29-14-4-13-24-29/h1-10,13-14,18H,11-12,15-16H2,(H,25,30)
InChIKeyLSQPUTBOLZMOOH-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.67
Rot. Bonds4

About N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 90514093) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID90514093
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C23H22N6O/c30-23(25-20-8-3-6-17-5-1-2-7-19(17)20)18-11-15-28(16-12-18)21-9-10-22(27-26-21)29-14-4-13-24-29/h1-10,13-14,18H,11-12,15-16H2,(H,25,30)
InChIKeyLSQPUTBOLZMOOH-UHFFFAOYSA-N
XLogP3.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514089
1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 121118852
1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 52907567
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121148745
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514047
N-(3,4-dimethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514082
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
N-naphthalen-1-yl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601037
N-(2-methylsulfanylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514489
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 90514093) is N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1cccc2ccccc12)C1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is LSQPUTBOLZMOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(25-20-8-3-6-17-5-1-2-7-19(17)20)18-11-15-28(16-12-18)21-9-10-22(27-26-21)29-14-4-13-24-29/h1-10,13-14,18H,11-12,15-16H2,(H,25,30).
What are the key properties of N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90514093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).