methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate

C17H21N3O5 — CID 124854745

IUPACmethyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C17H21N3O5/c1-11(2)9-13(17(23)24-3)18-15(21)10-20-16(22)7-6-12(19-20)14-5-4-8-25-14/h4-8,11,13H,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyXTMYSMQBHWGUHT-CYBMUJFWSA-N
MW347.37 g/mol
LogP1.21
Rot. Bonds7

About methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate

methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate (PubChem CID 124854745) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate
PubChem CID124854745
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Namemethyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C17H21N3O5/c1-11(2)9-13(17(23)24-3)18-15(21)10-20-16(22)7-6-12(19-20)14-5-4-8-25-14/h4-8,11,13H,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyXTMYSMQBHWGUHT-CYBMUJFWSA-N
XLogP1.21
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
N-(2,5-dimethoxyphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7658294
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121049777
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 56761226
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121123709
N-(9H-fluoren-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049822
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7659439
N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049819
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 51052238
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate (CID 124854745) is methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate?
The InChIKey is XTMYSMQBHWGUHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11(2)9-13(17(23)24-3)18-15(21)10-20-16(22)7-6-12(19-20)14-5-4-8-25-14/h4-8,11,13H,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate?
methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate has a molecular weight of 347.37 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 124854745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).