3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide

C17H21ClN4O2 — CID 3617297

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C17H21ClN4O2/c1-21(2)12-10-19-16(23)9-11-22-17(24)8-7-15(20-22)13-3-5-14(18)6-4-13/h3-8H,9-12H2,1-2H3,(H,19,23)
InChIKeyABUCCDFPIQCZEL-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.63
Rot. Bonds7

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 3617297) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID3617297
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C17H21ClN4O2/c1-21(2)12-10-19-16(23)9-11-22-17(24)8-7-15(20-22)13-3-5-14(18)6-4-13/h3-8H,9-12H2,1-2H3,(H,19,23)
InChIKeyABUCCDFPIQCZEL-UHFFFAOYSA-N
XLogP1.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3235823
N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3237431
N-butyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3239462
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
N-{3-[butyl(methyl)amino]propyl}-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3243725
N-{2-[butyl(methyl)amino]ethyl}-3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 4177567
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(1-phenylethyl)propanamide
CID 5046315
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255
3-(6-oxo-3-phenylpyridazin-1(6H)-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 16193578

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide (CID 3617297) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is ABUCCDFPIQCZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-21(2)12-10-19-16(23)9-11-22-17(24)8-7-15(20-22)13-3-5-14(18)6-4-13/h3-8H,9-12H2,1-2H3,(H,19,23).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 348.83 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 3617297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).