N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C25H26N4O3 — CID 30866725

IUPACN-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)nn2)cc1
InChIInChI=1S/C25H26N4O3/c1-17(30)20-4-3-5-21(16-20)26-25(31)19-12-14-29(15-13-19)24-11-10-23(27-28-24)18-6-8-22(32-2)9-7-18/h3-11,16,19H,12-15H2,1-2H3,(H,26,31)
InChIKeyIMYYZWBUQQPTQP-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.21
Rot. Bonds6

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

N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866725) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866725
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)nn2)cc1
InChIInChI=1S/C25H26N4O3/c1-17(30)20-4-3-5-21(16-20)26-25(31)19-12-14-29(15-13-19)24-11-10-23(27-28-24)18-6-8-22(32-2)9-7-18/h3-11,16,19H,12-15H2,1-2H3,(H,26,31)
InChIKeyIMYYZWBUQQPTQP-UHFFFAOYSA-N
XLogP4.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361652
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 121071923
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 121071892
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025293
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361507

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866725) is N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(-c2ccc(N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)nn2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is IMYYZWBUQQPTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(30)20-4-3-5-21(16-20)26-25(31)19-12-14-29(15-13-19)24-11-10-23(27-28-24)18-6-8-22(32-2)9-7-18/h3-11,16,19H,12-15H2,1-2H3,(H,26,31).
What are the key properties of N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).