N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C21H28N4O2 — CID 3244753

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC1CCCC(C)N1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H28N4O2/c1-16-7-6-8-17(2)24(16)14-13-22-20(26)15-25-21(27)12-11-19(23-25)18-9-4-3-5-10-18/h3-5,9-12,16-17H,6-8,13-15H2,1-2H3,(H,22,26)
InChIKeyIXJLHWLVPXSMLL-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 3244753) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID3244753
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC1CCCC(C)N1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H28N4O2/c1-16-7-6-8-17(2)24(16)14-13-22-20(26)15-25-21(27)12-11-19(23-25)18-9-4-3-5-10-18/h3-5,9-12,16-17H,6-8,13-15H2,1-2H3,(H,22,26)
InChIKeyIXJLHWLVPXSMLL-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.29
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-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 3244753) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CC1CCCC(C)N1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is IXJLHWLVPXSMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-7-6-8-17(2)24(16)14-13-22-20(26)15-25-21(27)12-11-19(23-25)18-9-4-3-5-10-18/h3-5,9-12,16-17H,6-8,13-15H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.29, 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-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 3244753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).