(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide

C19H19N3O3S — CID 52904228

IUPAC(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@H](C)Cn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H19N3O3S/c1-13(19(24)20-15-6-3-4-8-17(15)26-2)12-22-18(23)10-9-14(21-22)16-7-5-11-25-16/h3-11,13H,12H2,1-2H3,(H,20,24)/t13-/m1/s1
InChIKeyGSNHDKHKDCKVAJ-CYBMUJFWSA-N
MW369.45 g/mol
LogP3.50
Rot. Bonds6

About (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide

(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 52904228) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide
PubChem CID52904228
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@H](C)Cn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H19N3O3S/c1-13(19(24)20-15-6-3-4-8-17(15)26-2)12-22-18(23)10-9-14(21-22)16-7-5-11-25-16/h3-11,13H,12H2,1-2H3,(H,20,24)/t13-/m1/s1
InChIKeyGSNHDKHKDCKVAJ-CYBMUJFWSA-N
XLogP3.50
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121049777
(2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 52904213
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 121034366
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 52904218
(2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide
CID 52904235
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 52904226
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-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide
CID 52992139
methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate
CID 124854745
(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 52906560
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide (CID 52904228) is (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)[C@H](C)Cn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is GSNHDKHKDCKVAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(19(24)20-15-6-3-4-8-17(15)26-2)12-22-18(23)10-9-14(21-22)16-7-5-11-25-16/h3-11,13H,12H2,1-2H3,(H,20,24)/t13-/m1/s1.
What are the key properties of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide?
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 369.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 52904228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).