N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C22H30N4O2 — CID 3237659

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCN3C(C)CCCC3C)n2)cc1
InChIInChI=1S/C22H30N4O2/c1-16-7-9-19(10-8-16)20-11-12-22(28)26(24-20)15-21(27)23-13-14-25-17(2)5-4-6-18(25)3/h7-12,17-18H,4-6,13-15H2,1-3H3,(H,23,27)
InChIKeyRKUFECPMGRMQOW-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.60
Rot. Bonds6

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3237659) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3237659
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCN3C(C)CCCC3C)n2)cc1
InChIInChI=1S/C22H30N4O2/c1-16-7-9-19(10-8-16)20-11-12-22(28)26(24-20)15-21(27)23-13-14-25-17(2)5-4-6-18(25)3/h7-12,17-18H,4-6,13-15H2,1-3H3,(H,23,27)
InChIKeyRKUFECPMGRMQOW-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 3237659) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3C(C)CCCC3C)n2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is RKUFECPMGRMQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-7-9-19(10-8-16)20-11-12-22(28)26(24-20)15-21(27)23-13-14-25-17(2)5-4-6-18(25)3/h7-12,17-18H,4-6,13-15H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3237659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).