2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone

C21H23N3O3 — CID 109238062

IUPAC2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone
SMILESO=C(c1cncc(N2CCC3(CC2)OCCO3)c1)N1CCc2ccccc21
InChIInChI=1S/C21H23N3O3/c25-20(24-8-5-16-3-1-2-4-19(16)24)17-13-18(15-22-14-17)23-9-6-21(7-10-23)26-11-12-27-21/h1-4,13-15H,5-12H2
InChIKeyDIOGNVOOWOJCPS-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.63
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone (PubChem CID 109238062) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone
PubChem CID109238062
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone
SMILESO=C(c1cncc(N2CCC3(CC2)OCCO3)c1)N1CCc2ccccc21
InChIInChI=1S/C21H23N3O3/c25-20(24-8-5-16-3-1-2-4-19(16)24)17-13-18(15-22-14-17)23-9-6-21(7-10-23)26-11-12-27-21/h1-4,13-15H,5-12H2
InChIKeyDIOGNVOOWOJCPS-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230309
4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
CID 109230932
2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone
CID 109088614
3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230630
[5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 155561319
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109238070
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223215
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
2,3-dihydroindol-1-yl-[5-(dipropylamino)-3-pyridinyl]methanone
CID 109241027
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109238094
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone (CID 109238062) is 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone is O=C(c1cncc(N2CCC3(CC2)OCCO3)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone?
The InChIKey is DIOGNVOOWOJCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(24-8-5-16-3-1-2-4-19(16)24)17-13-18(15-22-14-17)23-9-6-21(7-10-23)26-11-12-27-21/h1-4,13-15H,5-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone has a molecular weight of 365.43 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109238062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).