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

C18H17N3O — CID 133413419

IUPAC6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCOC3(CCc4ccccc43)C2)nc1
InChIInChI=1S/C18H17N3O/c19-11-14-5-6-17(20-12-14)21-9-10-22-18(13-21)8-7-15-3-1-2-4-16(15)18/h1-6,12H,7-10,13H2
InChIKeyOXRFXMZBFQGJAY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.63
Rot. Bonds1

About 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile

6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile (PubChem CID 133413419) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
PubChem CID133413419
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCOC3(CCc4ccccc43)C2)nc1
InChIInChI=1S/C18H17N3O/c19-11-14-5-6-17(20-12-14)21-9-10-22-18(13-21)8-7-15-3-1-2-4-16(15)18/h1-6,12H,7-10,13H2
InChIKeyOXRFXMZBFQGJAY-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

1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
2-(3H-spiro[isobenzofuran-1,4''-piperidine]-1''-yl)pyridin-4-amine
CID 44573334
5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol
CID 164620912
Piperazine, 1-(beta-methoxyphenethyl)-4-(2-pyridyl)-, trihydrochloride
CID 203033
6-[2-(4-Bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 47077213
2-(4-(Benzyloxy)piperidin-1-yl)nicotinonitrile
CID 56810521
2-[4-(2-Phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 56820782
6-[4-(2-Phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 56820783
1-[[(1-Pyridin-2-ylpiperidin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol
CID 84595397
4'-(2-Pyridin-4-ylethyl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 86769734
4'-(2-Pyridin-2-ylethyl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 86771004
(3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 129402005

Frequently Asked Questions

What is the IUPAC name of 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile?
The IUPAC name of 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile (CID 133413419) is 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile is N#Cc1ccc(N2CCOC3(CCc4ccccc43)C2)nc1.
What is the InChIKey of 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile?
The InChIKey is OXRFXMZBFQGJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-11-14-5-6-17(20-12-14)21-9-10-22-18(13-21)8-7-15-3-1-2-4-16(15)18/h1-6,12H,7-10,13H2.
What are the key properties of 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile?
6-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 6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile is sourced from PubChem (CID 133413419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).