N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C25H28N4O4 — CID 30363123

IUPACN-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)cc1OC
InChIInChI=1S/C25H28N4O4/c1-31-21-7-5-4-6-19(21)20-9-11-24(28-27-20)29-14-12-17(13-15-29)25(30)26-18-8-10-22(32-2)23(16-18)33-3/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)
InChIKeyFWPVZUWKCXYDOP-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.02
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30363123) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30363123
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)cc1OC
InChIInChI=1S/C25H28N4O4/c1-31-21-7-5-4-6-19(21)20-9-11-24(28-27-20)29-14-12-17(13-15-29)25(30)26-18-8-10-22(32-2)23(16-18)33-3/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)
InChIKeyFWPVZUWKCXYDOP-UHFFFAOYSA-N
XLogP4.02
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363714
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363210
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 30354623
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30362950
N-(4-fluoro-3-nitrophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070559
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 30362919
1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770334
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070569

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30363123) is N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is FWPVZUWKCXYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-31-21-7-5-4-6-19(21)20-9-11-24(28-27-20)29-14-12-17(13-15-29)25(30)26-18-8-10-22(32-2)23(16-18)33-3/h4-11,16-17H,12-15H2,1-3H3,(H,26,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30363123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).