N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

C15H19N3O3 — CID 88703856

IUPACN-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCCON(C(C)=O)c1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C15H19N3O3/c1-4-21-18(11(3)19)13-7-5-12(6-8-13)15-10(2)9-14(20)16-17-15/h5-8,10H,4,9H2,1-3H3,(H,16,20)
InChIKeyPDYVPLZKEGLVQS-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.85
Rot. Bonds4

About N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 88703856) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID88703856
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCCON(C(C)=O)c1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C15H19N3O3/c1-4-21-18(11(3)19)13-7-5-12(6-8-13)15-10(2)9-14(20)16-17-15/h5-8,10H,4,9H2,1-3H3,(H,16,20)
InChIKeyPDYVPLZKEGLVQS-UHFFFAOYSA-N
XLogP1.85
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (CID 88703856) is N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is CCON(C(C)=O)c1ccc(C2=NNC(=O)CC2C)cc1.
What is the InChIKey of N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is PDYVPLZKEGLVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-21-18(11(3)19)13-7-5-12(6-8-13)15-10(2)9-14(20)16-17-15/h5-8,10H,4,9H2,1-3H3,(H,16,20).
What are the key properties of N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 88703856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).