2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide

C16H18Cl2N4O2 — CID 9483843

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C16H18Cl2N4O2/c1-20(2)12-6-4-11(5-7-12)9-21(3)14(23)10-22-16(24)15(18)13(17)8-19-22/h4-8H,9-10H2,1-3H3
InChIKeyFUXANNZJTLNZGA-UHFFFAOYSA-N
MW369.25 g/mol
LogP2.27
Rot. Bonds5

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide (PubChem CID 9483843) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
PubChem CID9483843
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C16H18Cl2N4O2/c1-20(2)12-6-4-11(5-7-12)9-21(3)14(23)10-22-16(24)15(18)13(17)8-19-22/h4-8H,9-10H2,1-3H3
InChIKeyFUXANNZJTLNZGA-UHFFFAOYSA-N
XLogP2.27
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide (CID 9483843) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The InChIKey is FUXANNZJTLNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-20(2)12-6-4-11(5-7-12)9-21(3)14(23)10-22-16(24)15(18)13(17)8-19-22/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide has a molecular weight of 369.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 9483843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).