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

C23H28N6O3 — CID 90514293

IUPACN-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc(OC)c1
InChIInChI=1S/C23H28N6O3/c1-15-11-16(2)29(27-15)22-6-5-21(25-26-22)28-9-7-17(8-10-28)23(30)24-18-12-19(31-3)14-20(13-18)32-4/h5-6,11-14,17H,7-10H2,1-4H3,(H,24,30)
InChIKeyBNHDSUBOWWXILT-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.15
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90514293) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID90514293
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc(OC)c1
InChIInChI=1S/C23H28N6O3/c1-15-11-16(2)29(27-15)22-6-5-21(25-26-22)28-9-7-17(8-10-28)23(30)24-18-12-19(31-3)14-20(13-18)32-4/h5-6,11-14,17H,7-10H2,1-4H3,(H,24,30)
InChIKeyBNHDSUBOWWXILT-UHFFFAOYSA-N
XLogP3.15
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
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-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 90514251
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(9H-fluoren-2-yl)piperidine-4-carboxamide
CID 90514340
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514306
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 16812679
N-(3,5-dimethoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170427
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90514308

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90514293) is N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is BNHDSUBOWWXILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-15-11-16(2)29(27-15)22-6-5-21(25-26-22)28-9-7-17(8-10-28)23(30)24-18-12-19(31-3)14-20(13-18)32-4/h5-6,11-14,17H,7-10H2,1-4H3,(H,24,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90514293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).