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

C21H24N6O3 — CID 90514398

IUPACN-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1OC
InChIInChI=1S/C21H24N6O3/c1-29-17-7-6-16(13-18(17)30-2)23-21(28)15-5-3-11-26(14-15)19-8-9-20(25-24-19)27-12-4-10-22-27/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,23,28)
InChIKeyFQFJHUUNVSZYBK-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.53
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 90514398) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID90514398
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1OC
InChIInChI=1S/C21H24N6O3/c1-29-17-7-6-16(13-18(17)30-2)23-21(28)15-5-3-11-26(14-15)19-8-9-20(25-24-19)27-12-4-10-22-27/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,23,28)
InChIKeyFQFJHUUNVSZYBK-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-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520509
N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514404
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514429
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140
N-(4-morpholin-4-ylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514499
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
N-(2-methylsulfanylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514489
N-(3-methyl-2-pyridinyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514416
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369280
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520586

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 90514398) is N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is FQFJHUUNVSZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-29-17-7-6-16(13-18(17)30-2)23-21(28)15-5-3-11-26(14-15)19-8-9-20(25-24-19)27-12-4-10-22-27/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,23,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-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-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90514398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).