2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide

C16H20ClN5O — CID 113039920

IUPAC2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
SMILESCN(C)CCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H20ClN5O/c1-22(2)10-9-18-14-7-8-15(21-20-14)19-16(23)11-12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,20)(H,19,21,23)
InChIKeyMPXTVOOGOXHKRZ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.28
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide

2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide (PubChem CID 113039920) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
PubChem CID113039920
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
SMILESCN(C)CCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H20ClN5O/c1-22(2)10-9-18-14-7-8-15(21-20-14)19-16(23)11-12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,20)(H,19,21,23)
InChIKeyMPXTVOOGOXHKRZ-UHFFFAOYSA-N
XLogP2.28
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113040148
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039881
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113039942
2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039952
2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide
CID 113010953
2-(4-chlorophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
CID 113045158
2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
CID 113037948
2-(4-chlorophenyl)-N-[6-(diethylamino)pyridazin-3-yl]acetamide
CID 113043990
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,3-diphenylpropanamide
CID 113039915
2-(4-chlorophenyl)-N-[6-(cyclopropylamino)pyridazin-3-yl]acetamide
CID 113038076
2-(4-fluorophenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037819

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide (CID 113039920) is 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide is CN(C)CCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide?
The InChIKey is MPXTVOOGOXHKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-22(2)10-9-18-14-7-8-15(21-20-14)19-16(23)11-12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,20)(H,19,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 113039920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).