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

C16H19ClN4O2 — CID 3236867

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C16H19ClN4O2/c1-20(2)10-9-18-15(22)11-21-16(23)8-7-14(19-21)12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,22)
InChIKeyWRAAIRADACALGD-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.24
Rot. Bonds6

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

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 3236867) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID3236867
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C16H19ClN4O2/c1-20(2)10-9-18-15(22)11-21-16(23)8-7-14(19-21)12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,22)
InChIKeyWRAAIRADACALGD-UHFFFAOYSA-N
XLogP1.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.24
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
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
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-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
ethyl 4-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperazine-1-carboxylate
CID 3239673
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3244753
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
N-[(4-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 16031381

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 3236867) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is WRAAIRADACALGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-20(2)10-9-18-15(22)11-21-16(23)8-7-14(19-21)12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,22).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 334.81 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 3236867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).