N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C25H28N4O2 — CID 53025005

IUPACN-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1
InChIInChI=1S/C25H28N4O2/c1-3-31-21-12-10-20(11-13-21)26-25(30)19-8-6-16-29(17-19)24-15-14-23(27-28-24)22-9-5-4-7-18(22)2/h4-5,7,9-15,19H,3,6,8,16-17H2,1-2H3,(H,26,30)
InChIKeyWKVQCUMZBVKUKS-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.71
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 53025005) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID53025005
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1
InChIInChI=1S/C25H28N4O2/c1-3-31-21-12-10-20(11-13-21)26-25(30)19-8-6-16-29(17-19)24-15-14-23(27-28-24)22-9-5-4-7-18(22)2/h4-5,7,9-15,19H,3,6,8,16-17H2,1-2H3,(H,26,30)
InChIKeyWKVQCUMZBVKUKS-UHFFFAOYSA-N
XLogP4.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121070672
N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070715
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514429
N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070751
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
N-(2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070656
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071260
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43033285

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 53025005) is N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is CCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is WKVQCUMZBVKUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-31-21-12-10-20(11-13-21)26-25(30)19-8-6-16-29(17-19)24-15-14-23(27-28-24)22-9-5-4-7-18(22)2/h4-5,7,9-15,19H,3,6,8,16-17H2,1-2H3,(H,26,30).
What are the key properties of N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53025005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).