2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide

C13H18N4O3 — CID 114396759

IUPAC2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C13H18N4O3/c1-4-5-14-12(18)10-17-13(19)8-11(9-15-17)16(2)6-7-20-3/h1,8-9H,5-7,10H2,2-3H3,(H,14,18)
InChIKeyJCXOQECOBNMVNY-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.92
Rot. Bonds7

About 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide

2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide (PubChem CID 114396759) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
PubChem CID114396759
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C13H18N4O3/c1-4-5-14-12(18)10-17-13(19)8-11(9-15-17)16(2)6-7-20-3/h1,8-9H,5-7,10H2,2-3H3,(H,14,18)
InChIKeyJCXOQECOBNMVNY-UHFFFAOYSA-N
XLogP-0.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
CID 114398501
6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
CID 114393962
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanethioamide
CID 114395807
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395681
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 56887820
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396159
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395810
2-[(4-bromophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396920

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide (CID 114396759) is 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide is C#CCNC(=O)Cn1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide?
The InChIKey is JCXOQECOBNMVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-4-5-14-12(18)10-17-13(19)8-11(9-15-17)16(2)6-7-20-3/h1,8-9H,5-7,10H2,2-3H3,(H,14,18).
What are the key properties of 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide?
2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide has a molecular weight of 278.31 g/mol, XLogP of -0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 114396759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).