N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

C17H24N4O2 — CID 20968349

IUPACN-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCc1ccc(C2=NN(CC(=O)NCCN(C)C)C(=O)CC2)cc1
InChIInChI=1S/C17H24N4O2/c1-13-4-6-14(7-5-13)15-8-9-17(23)21(19-15)12-16(22)18-10-11-20(2)3/h4-7H,8-12H2,1-3H3,(H,18,22)
InChIKeyIYAYSFLSWHMXNL-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.00
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 20968349) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID20968349
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCc1ccc(C2=NN(CC(=O)NCCN(C)C)C(=O)CC2)cc1
InChIInChI=1S/C17H24N4O2/c1-13-4-6-14(7-5-13)15-8-9-17(23)21(19-15)12-16(22)18-10-11-20(2)3/h4-7H,8-12H2,1-3H3,(H,18,22)
InChIKeyIYAYSFLSWHMXNL-UHFFFAOYSA-N
XLogP1.00
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (CID 20968349) is N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is Cc1ccc(C2=NN(CC(=O)NCCN(C)C)C(=O)CC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is IYAYSFLSWHMXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-4-6-14(7-5-13)15-8-9-17(23)21(19-15)12-16(22)18-10-11-20(2)3/h4-7H,8-12H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 20968349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).