2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide

C19H20N4O3S — CID 46961356

IUPAC2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCc1ccc(-c2cc(N)c(=O)n(CC(=O)NCCOc3ccccc3)n2)s1
InChIInChI=1S/C19H20N4O3S/c1-13-7-8-17(27-13)16-11-15(20)19(25)23(22-16)12-18(24)21-9-10-26-14-5-3-2-4-6-14/h2-8,11H,9-10,12,20H2,1H3,(H,21,24)
InChIKeyJMNXRVUWOVRUEP-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.06
Rot. Bonds7

About 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide

2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 46961356) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID46961356
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCc1ccc(-c2cc(N)c(=O)n(CC(=O)NCCOc3ccccc3)n2)s1
InChIInChI=1S/C19H20N4O3S/c1-13-7-8-17(27-13)16-11-15(20)19(25)23(22-16)12-18(24)21-9-10-26-14-5-3-2-4-6-14/h2-8,11H,9-10,12,20H2,1H3,(H,21,24)
InChIKeyJMNXRVUWOVRUEP-UHFFFAOYSA-N
XLogP2.06
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51586148
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 16676871
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenoxyethyl)acetamide
CID 121049977
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 55012849
3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9204419
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 27234230
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51591864
2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 110910975
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050625
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
CID 16676631

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 46961356) is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide is Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NCCOc3ccccc3)n2)s1.
What is the InChIKey of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is JMNXRVUWOVRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-7-8-17(27-13)16-11-15(20)19(25)23(22-16)12-18(24)21-9-10-26-14-5-3-2-4-6-14/h2-8,11H,9-10,12,20H2,1H3,(H,21,24).
What are the key properties of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 46961356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).