2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide

C21H23N3O3 — CID 119059159

IUPAC2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)NCCc3cccc(=O)[nH]3)c12
InChIInChI=1S/C21H23N3O3/c1-3-15-6-4-8-17-18(14(2)25)12-24(21(15)17)13-20(27)22-11-10-16-7-5-9-19(26)23-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyBZEJTFLBWFMWLU-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.45
Rot. Bonds7

About 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide

2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide (PubChem CID 119059159) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
PubChem CID119059159
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)NCCc3cccc(=O)[nH]3)c12
InChIInChI=1S/C21H23N3O3/c1-3-15-6-4-8-17-18(14(2)25)12-24(21(15)17)13-20(27)22-11-10-16-7-5-9-19(26)23-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyBZEJTFLBWFMWLU-UHFFFAOYSA-N
XLogP2.45
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide (CID 119059159) is 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide is CCc1cccc2c(C(C)=O)cn(CC(=O)NCCc3cccc(=O)[nH]3)c12.
What is the InChIKey of 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide?
The InChIKey is BZEJTFLBWFMWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-15-6-4-8-17-18(14(2)25)12-24(21(15)17)13-20(27)22-11-10-16-7-5-9-19(26)23-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide?
2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide is sourced from PubChem (CID 119059159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).