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

C22H23N3O4 — CID 109088614

IUPAC2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone
SMILESO=C(c1cc(C(=O)N2CCc3ccccc32)ccn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H23N3O4/c26-20(25-10-6-16-3-1-2-4-19(16)25)17-5-9-23-18(15-17)21(27)24-11-7-22(8-12-24)28-13-14-29-22/h1-5,9,15H,6-8,10-14H2
InChIKeyZMCFYWWRBUTNSK-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.26
Rot. Bonds2

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

2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone (PubChem CID 109088614) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone
PubChem CID109088614
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone
SMILESO=C(c1cc(C(=O)N2CCc3ccccc32)ccn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H23N3O4/c26-20(25-10-6-16-3-1-2-4-19(16)25)17-5-9-23-18(15-17)21(27)24-11-7-22(8-12-24)28-13-14-29-22/h1-5,9,15H,6-8,10-14H2
InChIKeyZMCFYWWRBUTNSK-UHFFFAOYSA-N
XLogP2.26
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173968
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109084967
4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109084662
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone
CID 109238062
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088600
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone (CID 109088614) is 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone is O=C(c1cc(C(=O)N2CCc3ccccc32)ccn1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone?
The InChIKey is ZMCFYWWRBUTNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20(25-10-6-16-3-1-2-4-19(16)25)17-5-9-23-18(15-17)21(27)24-11-7-22(8-12-24)28-13-14-29-22/h1-5,9,15H,6-8,10-14H2.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone has a molecular weight of 393.44 g/mol, XLogP of 2.26, 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-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone is sourced from PubChem (CID 109088614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).