[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C21H23N3O3 — CID 109173968

IUPAC[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccnc(N2CCc3ccccc32)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H23N3O3/c25-20(23-11-7-21(8-12-23)26-13-14-27-21)17-5-9-22-19(15-17)24-10-6-16-3-1-2-4-18(16)24/h1-5,9,15H,6-8,10-14H2
InChIKeyJMZBYLPWDGWXBJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.75
Rot. Bonds2

About [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 109173968) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID109173968
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccnc(N2CCc3ccccc32)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H23N3O3/c25-20(23-11-7-21(8-12-23)26-13-14-27-21)17-5-9-22-19(15-17)24-10-6-16-3-1-2-4-18(16)24/h1-5,9,15H,6-8,10-14H2
InChIKeyJMZBYLPWDGWXBJ-UHFFFAOYSA-N
XLogP2.75
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone
CID 109088614
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 84574277
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109174375
4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109084662
[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109331854
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176481
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109169691

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 109173968) is [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccnc(N2CCc3ccccc32)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is JMZBYLPWDGWXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(23-11-7-21(8-12-23)26-13-14-27-21)17-5-9-22-19(15-17)24-10-6-16-3-1-2-4-18(16)24/h1-5,9,15H,6-8,10-14H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 109173968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).