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

C20H26N4O2 — CID 3244063

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC1CCCCN1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H26N4O2/c1-16-7-5-6-13-23(16)14-12-21-19(25)15-24-20(26)11-10-18(22-24)17-8-3-2-4-9-17/h2-4,8-11,16H,5-7,12-15H2,1H3,(H,21,25)
InChIKeyVQHTYJZKWRJISG-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.90
Rot. Bonds6

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

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 3244063) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID3244063
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC1CCCCN1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H26N4O2/c1-16-7-5-6-13-23(16)14-12-21-19(25)15-24-20(26)11-10-18(22-24)17-8-3-2-4-9-17/h2-4,8-11,16H,5-7,12-15H2,1H3,(H,21,25)
InChIKeyVQHTYJZKWRJISG-UHFFFAOYSA-N
XLogP1.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 3244063) is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CC1CCCCN1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is VQHTYJZKWRJISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-7-5-6-13-23(16)14-12-21-19(25)15-24-20(26)11-10-18(22-24)17-8-3-2-4-9-17/h2-4,8-11,16H,5-7,12-15H2,1H3,(H,21,25).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 3244063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).