N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide

C17H16N4O5 — CID 169327446

IUPACN-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)c(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C17H16N4O5/c1-3-26-9-4-5-11(19-8(2)22)12(6-9)21-13(23)7-10-14(15(21)18)17(25)20-16(10)24/h4-7H,3,18H2,1-2H3,(H,19,22)(H,20,24,25)
InChIKeyDZWPYXBISMHXKG-UHFFFAOYSA-N
MW356.34 g/mol
LogP0.66
Rot. Bonds4

About N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide

N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide (PubChem CID 169327446) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide
PubChem CID169327446
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)c(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C17H16N4O5/c1-3-26-9-4-5-11(19-8(2)22)12(6-9)21-13(23)7-10-14(15(21)18)17(25)20-16(10)24/h4-7H,3,18H2,1-2H3,(H,19,22)(H,20,24,25)
InChIKeyDZWPYXBISMHXKG-UHFFFAOYSA-N
XLogP0.66
TPSA132.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169328395
4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330744
4-amino-5-[2-(methylamino)-5-nitrophenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327050
1-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 169329900
4-amino-5-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328333
4-amino-5-[4-(2-methylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327270
4-amino-5-[2-(difluoromethoxy)-5-methoxyphenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329987
4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328403
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methyl-N-propylbenzamide
CID 169327714
4-amino-5-[3-(hydroxymethyl)naphthalen-2-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329605
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methoxycarbonylbenzoic acid
CID 169331411
ethyl 2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenoxy]pyridine-4-carboxylate
CID 169329828

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide?
The IUPAC name of N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide (CID 169327446) is N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide?
The canonical SMILES for N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(C)=O)c(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1.
What is the InChIKey of N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide?
The InChIKey is DZWPYXBISMHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-3-26-9-4-5-11(19-8(2)22)12(6-9)21-13(23)7-10-14(15(21)18)17(25)20-16(10)24/h4-7H,3,18H2,1-2H3,(H,19,22)(H,20,24,25).
What are the key properties of N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide?
N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide has a molecular weight of 356.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 169327446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).