1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide

C23H28N6O2 — CID 90514251

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1
InChIInChI=1S/C23H28N6O2/c1-4-31-20-8-6-5-7-19(20)24-23(30)18-11-13-28(14-12-18)21-9-10-22(26-25-21)29-17(3)15-16(2)27-29/h5-10,15,18H,4,11-14H2,1-3H3,(H,24,30)
InChIKeyFUVFDVAIZSDGJU-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.53
Rot. Bonds6

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide (PubChem CID 90514251) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
PubChem CID90514251
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1
InChIInChI=1S/C23H28N6O2/c1-4-31-20-8-6-5-7-19(20)24-23(30)18-11-13-28(14-12-18)21-9-10-22(26-25-21)29-17(3)15-16(2)27-29/h5-10,15,18H,4,11-14H2,1-3H3,(H,24,30)
InChIKeyFUVFDVAIZSDGJU-UHFFFAOYSA-N
XLogP3.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 90514602
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514293
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514320
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
N-(2-ethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113251
N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514306
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(9H-fluoren-2-yl)piperidine-4-carboxamide
CID 90514340

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide (CID 90514251) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is FUVFDVAIZSDGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-4-31-20-8-6-5-7-19(20)24-23(30)18-11-13-28(14-12-18)21-9-10-22(26-25-21)29-17(3)15-16(2)27-29/h5-10,15,18H,4,11-14H2,1-3H3,(H,24,30).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 90514251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).