N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C22H30N4O2 — CID 3237638

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCC1CCCCN1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C22H30N4O2/c1-2-19-11-6-7-15-25(19)16-8-14-23-21(27)17-26-22(28)13-12-20(24-26)18-9-4-3-5-10-18/h3-5,9-10,12-13,19H,2,6-8,11,14-17H2,1H3,(H,23,27)
InChIKeyASNFVNZYXGVLQU-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.68
Rot. Bonds8

About N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 3237638) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID3237638
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCC1CCCCN1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C22H30N4O2/c1-2-19-11-6-7-15-25(19)16-8-14-23-21(27)17-26-22(28)13-12-20(24-26)18-9-4-3-5-10-18/h3-5,9-10,12-13,19H,2,6-8,11,14-17H2,1H3,(H,23,27)
InChIKeyASNFVNZYXGVLQU-UHFFFAOYSA-N
XLogP2.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 3237638) is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCC1CCCCN1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is ASNFVNZYXGVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-19-11-6-7-15-25(19)16-8-14-23-21(27)17-26-22(28)13-12-20(24-26)18-9-4-3-5-10-18/h3-5,9-10,12-13,19H,2,6-8,11,14-17H2,1H3,(H,23,27).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 3237638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).