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

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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).