N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide

C23H26N6O3 — CID 121028008

IUPACN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(N4CCCCC4)nn3)n2)cc1
InChIInChI=1S/C23H26N6O3/c1-32-18-7-5-17(6-8-18)19-10-12-22(30)29(27-19)16-13-24-23(31)20-9-11-21(26-25-20)28-14-3-2-4-15-28/h5-12H,2-4,13-16H2,1H3,(H,24,31)
InChIKeySJKSZEFWEZGCGI-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.13
Rot. Bonds7

About N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide

N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 121028008) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID121028008
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(N4CCCCC4)nn3)n2)cc1
InChIInChI=1S/C23H26N6O3/c1-32-18-7-5-17(6-8-18)19-10-12-22(30)29(27-19)16-13-24-23(31)20-9-11-21(26-25-20)28-14-3-2-4-15-28/h5-12H,2-4,13-16H2,1H3,(H,24,31)
InChIKeySJKSZEFWEZGCGI-UHFFFAOYSA-N
XLogP2.13
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-3-carboxamide
CID 121071163
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 122280803
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide
CID 121033663
2-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569655
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027807
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 121033610
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 18569648
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121033606

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide (CID 121028008) is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide is COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(N4CCCCC4)nn3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is SJKSZEFWEZGCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-32-18-7-5-17(6-8-18)19-10-12-22(30)29(27-19)16-13-24-23(31)20-9-11-21(26-25-20)28-14-3-2-4-15-28/h5-12H,2-4,13-16H2,1H3,(H,24,31).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).