1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide

C23H28N6O — CID 90514309

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1)c1ccccc1
InChIInChI=1S/C23H28N6O/c1-4-28(20-8-6-5-7-9-20)23(30)19-12-14-27(15-13-19)21-10-11-22(25-24-21)29-18(3)16-17(2)26-29/h5-11,16,19H,4,12-15H2,1-3H3
InChIKeyORSOCJXRGPFJMM-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.55
Rot. Bonds5

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide (PubChem CID 90514309) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide
PubChem CID90514309
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1)c1ccccc1
InChIInChI=1S/C23H28N6O/c1-4-28(20-8-6-5-7-9-20)23(30)19-12-14-27(15-13-19)21-10-11-22(25-24-21)29-18(3)16-17(2)26-29/h5-11,16,19H,4,12-15H2,1-3H3
InChIKeyORSOCJXRGPFJMM-UHFFFAOYSA-N
XLogP3.55
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 90514300
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
(4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 90514295
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 90514251
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514320
N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119096
N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600377
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide (CID 90514309) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1)c1ccccc1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is ORSOCJXRGPFJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-4-28(20-8-6-5-7-9-20)23(30)19-12-14-27(15-13-19)21-10-11-22(25-24-21)29-18(3)16-17(2)26-29/h5-11,16,19H,4,12-15H2,1-3H3.
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 90514309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).