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

C19H26N4O2 — CID 3236319

IUPACN-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCN(CC)CCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C19H26N4O2/c1-4-22(5-2)13-12-20-18(24)14-23-19(25)11-10-17(21-23)16-8-6-15(3)7-9-16/h6-11H,4-5,12-14H2,1-3H3,(H,20,24)
InChIKeyIITFUPBRBDVSBG-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.68
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3236319) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3236319
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCN(CC)CCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C19H26N4O2/c1-4-22(5-2)13-12-20-18(24)14-23-19(25)11-10-17(21-23)16-8-6-15(3)7-9-16/h6-11H,4-5,12-14H2,1-3H3,(H,20,24)
InChIKeyIITFUPBRBDVSBG-UHFFFAOYSA-N
XLogP1.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 3236319) is N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is CCN(CC)CCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is IITFUPBRBDVSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-22(5-2)13-12-20-18(24)14-23-19(25)11-10-17(21-23)16-8-6-15(3)7-9-16/h6-11H,4-5,12-14H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3236319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).