1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide

C29H30N6O3 — CID 121072014

IUPAC1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)CC2)nn1
InChIInChI=1S/C29H30N6O3/c1-38-26-10-6-5-9-23(26)25-11-13-27(32-31-25)34-18-15-22(16-19-34)29(37)30-17-20-35-28(36)14-12-24(33-35)21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3,(H,30,37)
InChIKeyVXYAWPYBHBXMDQ-UHFFFAOYSA-N
MW510.60 g/mol
LogP3.41
Rot. Bonds8

About 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide

1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 121072014) has the molecular formula C29H30N6O3 and a molecular weight of 510.60 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID121072014
Molecular FormulaC29H30N6O3
Molecular Weight510.60 g/mol
Exact Mass510.24
IUPAC Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)CC2)nn1
InChIInChI=1S/C29H30N6O3/c1-38-26-10-6-5-9-23(26)25-11-13-27(32-31-25)34-18-15-22(16-19-34)29(37)30-17-20-35-28(36)14-12-24(33-35)21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3,(H,30,37)
InChIKeyVXYAWPYBHBXMDQ-UHFFFAOYSA-N
XLogP3.41
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071767
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30362950
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071326
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120549
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121033606
N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71701662
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-3-carboxamide
CID 121071163
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 30362919

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide (CID 121072014) is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide is COc1ccccc1-c1ccc(N2CCC(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)CC2)nn1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is VXYAWPYBHBXMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3/c1-38-26-10-6-5-9-23(26)25-11-13-27(32-31-25)34-18-15-22(16-19-34)29(37)30-17-20-35-28(36)14-12-24(33-35)21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3,(H,30,37).
What are the key properties of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide?
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 510.60 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121072014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).