(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide

C20H22N4O4 — CID 51496540

IUPAC(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-11-9-16(13(3)28-11)18-10-17(21)20(26)24(23-18)12(2)19(25)22-14-5-7-15(27-4)8-6-14/h5-10,12H,21H2,1-4H3,(H,22,25)/t12-/m1/s1
InChIKeyKZSICGJVRIIGPO-GFCCVEGCSA-N
MW382.42 g/mol
LogP2.91
Rot. Bonds5

About (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide

(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 51496540) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID51496540
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-11-9-16(13(3)28-11)18-10-17(21)20(26)24(23-18)12(2)19(25)22-14-5-7-15(27-4)8-6-14/h5-10,12H,21H2,1-4H3,(H,22,25)/t12-/m1/s1
InChIKeyKZSICGJVRIIGPO-GFCCVEGCSA-N
XLogP2.91
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 92600804
(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 51496539
(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 51595694
(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 51595695
(2R)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 28623322
3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16611108
(2R)-N-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 95064859
(2S)-N-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 95064860
(2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide
CID 51496401
2-[5-(aminomethyl)triazol-1-yl]-N-(4-methoxyphenyl)propanamide
CID 82202016
(2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)propanamide
CID 25465268
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide (CID 51496540) is (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1.
What is the InChIKey of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is KZSICGJVRIIGPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-11-9-16(13(3)28-11)18-10-17(21)20(26)24(23-18)12(2)19(25)22-14-5-7-15(27-4)8-6-14/h5-10,12H,21H2,1-4H3,(H,22,25)/t12-/m1/s1.
What are the key properties of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide?
(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 51496540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).