2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile

C18H17N3O — CID 133413209

IUPAC2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C18H17N3O/c19-12-15-5-3-9-20-17(15)21-10-11-22-18(13-21)8-7-14-4-1-2-6-16(14)18/h1-6,9H,7-8,10-11,13H2
InChIKeyUPMRUAJJMOHJIJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.63
Rot. Bonds1

About 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile

2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile (PubChem CID 133413209) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
PubChem CID133413209
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C18H17N3O/c19-12-15-5-3-9-20-17(15)21-10-11-22-18(13-21)8-7-14-4-1-2-6-16(14)18/h1-6,9H,7-8,10-11,13H2
InChIKeyUPMRUAJJMOHJIJ-UHFFFAOYSA-N
XLogP2.63
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile
CID 133413282
6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
CID 133413419
3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile
CID 133413405
2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
CID 142313551
4'-(2-pyridin-4-ylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413278
4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413414
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
4'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413339
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
spiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618292
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
4'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413446

Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile?
The IUPAC name of 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile (CID 133413209) is 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile is N#Cc1cccnc1N1CCOC2(CCc3ccccc32)C1.
What is the InChIKey of 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile?
The InChIKey is UPMRUAJJMOHJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-12-15-5-3-9-20-17(15)21-10-11-22-18(13-21)8-7-14-4-1-2-6-16(14)18/h1-6,9H,7-8,10-11,13H2.
What are the key properties of 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile?
2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile is sourced from PubChem (CID 133413209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).