2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide

C20H18N4O5 — CID 89359022

IUPAC2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(=O)N=O)nccc2n1Cc1ccccc1
InChIInChI=1S/C20H18N4O5/c1-2-13-16(18(26)19(21)27)17-14(24(13)10-12-6-4-3-5-7-12)8-9-22-20(17)29-11-15(25)23-28/h3-9H,2,10-11H2,1H3,(H2,21,27)
InChIKeyXFXWROAPXLFWHN-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.99
Rot. Bonds8

About 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide

2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide (PubChem CID 89359022) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide
PubChem CID89359022
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Name2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(=O)N=O)nccc2n1Cc1ccccc1
InChIInChI=1S/C20H18N4O5/c1-2-13-16(18(26)19(21)27)17-14(24(13)10-12-6-4-3-5-7-12)8-9-22-20(17)29-11-15(25)23-28/h3-9H,2,10-11H2,1H3,(H2,21,27)
InChIKeyXFXWROAPXLFWHN-UHFFFAOYSA-N
XLogP1.99
TPSA133.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate
CID 161457941
2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid
CID 16656999
2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-methylpyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide
CID 143459495
ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate
CID 59170392
2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide
CID 20592741
2-(1-benzyl-2-ethyl-4-hydroxyindol-3-yl)-2-oxoacetamide;methyl acetate
CID 174596485
2-[1-[(2Z,4Z)-2-ethenyl-3-phenylhexa-2,4-dienyl]-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid
CID 89358366
3-[[2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetyl]amino]-3-formyloxypropanoic acid
CID 58895958
3-[acetyl-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)amino]propanoic acid
CID 10788995
methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate
CID 10835989
methyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-3-methylpentanoate
CID 18008135
methyl 2-(1-benzyl-2-ethyl-3-oxamoylbenzo[g]indol-4-yl)oxyacetate
CID 10275279

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide (CID 89359022) is 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2c(OCC(=O)N=O)nccc2n1Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide?
The InChIKey is XFXWROAPXLFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-2-13-16(18(26)19(21)27)17-14(24(13)10-12-6-4-3-5-7-12)8-9-22-20(17)29-11-15(25)23-28/h3-9H,2,10-11H2,1H3,(H2,21,27).
What are the key properties of 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide?
2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide has a molecular weight of 394.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide is sourced from PubChem (CID 89359022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).