N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide

C23H20N4O4 — CID 1422174

IUPACN-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=c2ccccc2=NC1=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H20N4O4/c1-14(28)24-12-11-17-16-9-5-6-10-19(16)25-20(17)13-18-21(29)26-23(31)27(22(18)30)15-7-3-2-4-8-15/h2-10,13,30H,11-12H2,1H3,(H,24,28)(H,26,29,31)
InChIKeyRUTZJGIDLWDHIX-UHFFFAOYSA-N
MW416.44 g/mol
LogP0.58
Rot. Bonds5

About N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide

N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide (PubChem CID 1422174) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
PubChem CID1422174
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=c2ccccc2=NC1=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H20N4O4/c1-14(28)24-12-11-17-16-9-5-6-10-19(16)25-20(17)13-18-21(29)26-23(31)27(22(18)30)15-7-3-2-4-8-15/h2-10,13,30H,11-12H2,1H3,(H,24,28)(H,26,29,31)
InChIKeyRUTZJGIDLWDHIX-UHFFFAOYSA-N
XLogP0.58
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide 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

N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
CID 135521685
N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
CID 135420738
N-[2-[(2Z)-2-[[6-hydroxy-4-oxo-1-(2-phenylethyl)-2-sulfanylidenepyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
CID 135469864
N-[2-[(2Z)-2-[(1-heptyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
CID 135795868
N-[2-[(2Z)-2-[[6-hydroxy-1-(3-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylidene]indol-3-yl]ethyl]propanamide
CID 135474014
N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide
CID 135795782
4-[2-[(2Z)-2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethylamino]-4-oxobutanoate
CID 135974419
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 939765
N-[2-[(2Z)-2-[[6-hydroxy-4-oxo-1-(2-phenylethyl)-2-sulfanylidenepyrimidin-5-yl]methylidene]indol-3-yl]ethyl]-N-methylacetamide
CID 135795874
1-ethyl-3-[2-[2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]thiourea
CID 2024389
6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 899947
6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione
CID 135477983

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide (CID 1422174) is N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide is CC(=O)NCCC1=c2ccccc2=NC1=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide?
The InChIKey is RUTZJGIDLWDHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14(28)24-12-11-17-16-9-5-6-10-19(16)25-20(17)13-18-21(29)26-23(31)27(22(18)30)15-7-3-2-4-8-15/h2-10,13,30H,11-12H2,1H3,(H,24,28)(H,26,29,31).
What are the key properties of N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide?
N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide has a molecular weight of 416.44 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 1422174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).