2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone

C20H23N3O2 — CID 154799440

IUPAC2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESO=C(C(O)c1cccnc1)N1CCc2c(CN3CCCC3)cccc21
InChIInChI=1S/C20H23N3O2/c24-19(15-6-4-9-21-13-15)20(25)23-12-8-17-16(5-3-7-18(17)23)14-22-10-1-2-11-22/h3-7,9,13,19,24H,1-2,8,10-12,14H2
InChIKeySOBKZAKVJAMXOY-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.30
Rot. Bonds4

About 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone

2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 154799440) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID154799440
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESO=C(C(O)c1cccnc1)N1CCc2c(CN3CCCC3)cccc21
InChIInChI=1S/C20H23N3O2/c24-19(15-6-4-9-21-13-15)20(25)23-12-8-17-16(5-3-7-18(17)23)14-22-10-1-2-11-22/h3-7,9,13,19,24H,1-2,8,10-12,14H2
InChIKeySOBKZAKVJAMXOY-UHFFFAOYSA-N
XLogP2.30
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone
CID 126813047
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 169423845
(2S)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 97277932
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 134056885
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
N,2-dihydroxy-2-pyridin-3-ylacetamide
CID 131036092
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone (CID 154799440) is 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone is O=C(C(O)c1cccnc1)N1CCc2c(CN3CCCC3)cccc21.
What is the InChIKey of 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is SOBKZAKVJAMXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(15-6-4-9-21-13-15)20(25)23-12-8-17-16(5-3-7-18(17)23)14-22-10-1-2-11-22/h3-7,9,13,19,24H,1-2,8,10-12,14H2.
What are the key properties of 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone?
2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 154799440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).