3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one

C22H25N3O2 — CID 71292334

IUPAC3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one
SMILESCCc1cc(C(C)=O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CCNC1)n2C
InChIInChI=1S/C22H25N3O2/c1-4-14-10-18(13(2)26)22(27)24-21(14)15-5-6-19-17(9-15)11-20(25(19)3)16-7-8-23-12-16/h5-6,9-11,16,23H,4,7-8,12H2,1-3H3,(H,24,27)
InChIKeyBXRKCDPDKKKJED-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.38
Rot. Bonds4

About 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one

3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one (PubChem CID 71292334) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one
PubChem CID71292334
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one
SMILESCCc1cc(C(C)=O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CCNC1)n2C
InChIInChI=1S/C22H25N3O2/c1-4-14-10-18(13(2)26)22(27)24-21(14)15-5-6-19-17(9-15)11-20(25(19)3)16-7-8-23-12-16/h5-6,9-11,16,23H,4,7-8,12H2,1-3H3,(H,24,27)
InChIKeyBXRKCDPDKKKJED-UHFFFAOYSA-N
XLogP3.38
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one (CID 71292334) is 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one is CCc1cc(C(C)=O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CCNC1)n2C.
What is the InChIKey of 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one?
The InChIKey is BXRKCDPDKKKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-14-10-18(13(2)26)22(27)24-21(14)15-5-6-19-17(9-15)11-20(25(19)3)16-7-8-23-12-16/h5-6,9-11,16,23H,4,7-8,12H2,1-3H3,(H,24,27).
What are the key properties of 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one?
3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-ethyl-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 71292334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).