3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C23H24N4O4 — CID 73451634

IUPAC3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCCOc1ccc(NC(=O)C2=CN(C)C3C(=O)N(Cc4ccccc4)C(=O)NC23)cc1
InChIInChI=1S/C23H24N4O4/c1-3-31-17-11-9-16(10-12-17)24-21(28)18-14-26(2)20-19(18)25-23(30)27(22(20)29)13-15-7-5-4-6-8-15/h4-12,14,19-20H,3,13H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyQQCAXCWDGHAYQP-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.34
Rot. Bonds6

About 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 73451634) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID73451634
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCCOc1ccc(NC(=O)C2=CN(C)C3C(=O)N(Cc4ccccc4)C(=O)NC23)cc1
InChIInChI=1S/C23H24N4O4/c1-3-31-17-11-9-16(10-12-17)24-21(28)18-14-26(2)20-19(18)25-23(30)27(22(20)29)13-15-7-5-4-6-8-15/h4-12,14,19-20H,3,13H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyQQCAXCWDGHAYQP-UHFFFAOYSA-N
XLogP2.34
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-N-(4-fluorophenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 73451630
3-benzyl-5-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 74753879
N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382620
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
2-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 156590126
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 16618283
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030
[2-(4-ethoxyanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7729169
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(4-phenoxyphenyl)propanamide
CID 73259731
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 73451634) is 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is CCOc1ccc(NC(=O)C2=CN(C)C3C(=O)N(Cc4ccccc4)C(=O)NC23)cc1.
What is the InChIKey of 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is QQCAXCWDGHAYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-31-17-11-9-16(10-12-17)24-21(28)18-14-26(2)20-19(18)25-23(30)27(22(20)29)13-15-7-5-4-6-8-15/h4-12,14,19-20H,3,13H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(4-ethoxyphenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 73451634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).