N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C21H24N6O3 — CID 90514047

IUPACN-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)c(OC)c1
InChIInChI=1S/C21H24N6O3/c1-29-16-4-5-17(18(14-16)30-2)23-21(28)15-8-12-26(13-9-15)19-6-7-20(25-24-19)27-11-3-10-22-27/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,23,28)
InChIKeyUKCMDFQWGOXPJP-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.53
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 90514047) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID90514047
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)c(OC)c1
InChIInChI=1S/C21H24N6O3/c1-29-16-4-5-17(18(14-16)30-2)23-21(28)15-8-12-26(13-9-15)19-6-7-20(25-24-19)27-11-3-10-22-27/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,23,28)
InChIKeyUKCMDFQWGOXPJP-UHFFFAOYSA-N
XLogP2.53
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025293
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
N-(3,4-dimethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514082
N-(2-ethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514089
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514093
1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 52907567
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 122262568
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601345

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 90514047) is N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is UKCMDFQWGOXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-29-16-4-5-17(18(14-16)30-2)23-21(28)15-8-12-26(13-9-15)19-6-7-20(25-24-19)27-11-3-10-22-27/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,23,28).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90514047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).