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

C25H28N4O3 — CID 53025140

IUPACN-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1OC
InChIInChI=1S/C25H28N4O3/c1-17-6-4-7-18(14-17)21-10-12-24(28-27-21)29-13-5-8-19(16-29)25(30)26-20-9-11-22(31-2)23(15-20)32-3/h4,6-7,9-12,14-15,19H,5,8,13,16H2,1-3H3,(H,26,30)
InChIKeyFKAFUJXQPWDESR-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.32
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 53025140) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID53025140
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1OC
InChIInChI=1S/C25H28N4O3/c1-17-6-4-7-18(14-17)21-10-12-24(28-27-21)29-13-5-8-19(16-29)25(30)26-20-9-11-22(31-2)23(15-20)32-3/h4,6-7,9-12,14-15,19H,5,8,13,16H2,1-3H3,(H,26,30)
InChIKeyFKAFUJXQPWDESR-UHFFFAOYSA-N
XLogP4.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025152
(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055955
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055908
N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070841

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 53025140) is N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is FKAFUJXQPWDESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-6-4-7-18(14-17)21-10-12-24(28-27-21)29-13-5-8-19(16-29)25(30)26-20-9-11-22(31-2)23(15-20)32-3/h4,6-7,9-12,14-15,19H,5,8,13,16H2,1-3H3,(H,26,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53025140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).