(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide

C19H20N4O3S — CID 51595694

IUPAC(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3cccs3)cc(N)c2=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-3-26-14-8-6-13(7-9-14)21-18(24)12(2)23-19(25)15(20)11-16(22-23)17-5-4-10-27-17/h4-12H,3,20H2,1-2H3,(H,21,24)/t12-/m1/s1
InChIKeyJZKBNJADVZDVMY-GFCCVEGCSA-N
MW384.46 g/mol
LogP3.15
Rot. Bonds6

About (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide

(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide (PubChem CID 51595694) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
PubChem CID51595694
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3cccs3)cc(N)c2=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-3-26-14-8-6-13(7-9-14)21-18(24)12(2)23-19(25)15(20)11-16(22-23)17-5-4-10-27-17/h4-12H,3,20H2,1-2H3,(H,21,24)/t12-/m1/s1
InChIKeyJZKBNJADVZDVMY-GFCCVEGCSA-N
XLogP3.15
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 51595695
(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide
CID 51496253
(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 51496256
(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 51583835
(2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)propanamide
CID 25465268
N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220528
N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076536
(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 92600804
3-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194766
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279954
N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517503

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide (CID 51595694) is (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3cccs3)cc(N)c2=O)cc1.
What is the InChIKey of (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is JZKBNJADVZDVMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-26-14-8-6-13(7-9-14)21-18(24)12(2)23-19(25)15(20)11-16(22-23)17-5-4-10-27-17/h4-12H,3,20H2,1-2H3,(H,21,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide?
(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 384.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 51595694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).