2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile

C14H17N3O2 — CID 114768261

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C14H17N3O2/c1-11-8-12(10-15)9-13(16-11)17-4-2-14(3-5-17)18-6-7-19-14/h8-9H,2-7H2,1H3
InChIKeyGESAOBGRUCOYKV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.61
Rot. Bonds1

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile (PubChem CID 114768261) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
PubChem CID114768261
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C14H17N3O2/c1-11-8-12(10-15)9-13(16-11)17-4-2-14(3-5-17)18-6-7-19-14/h8-9H,2-7H2,1H3
InChIKeyGESAOBGRUCOYKV-UHFFFAOYSA-N
XLogP1.61
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
CID 2013066
4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
Ethyl 1-(3-cyano-4,6-dimethylpyridin-2-yl)piperidine-4-carboxylate
CID 1474731
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-(4-morpholinyl)-
CID 660957
6-Methyl-2-morpholino-4-(trifluoromethyl)nicotinonitrile
CID 3789900
6-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)nicotinonitrile
CID 14156396
3-Ethoxy-8-(6-methyl-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane
CID 118744507
4,6-Dimethyl-2-(3-oxa-9-azaspiro[5.5]undec-9-yl)nicotinonitrile
CID 56916954
2-[(3R*,4R*)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-4,6-dimethylnicotinonitrile
CID 70765411
2-[4-(2-Methoxyethoxy)piperidin-1-yl]-6-methylpyridine
CID 86797240
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-[Bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765953

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile (CID 114768261) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile?
The InChIKey is GESAOBGRUCOYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-8-12(10-15)9-13(16-11)17-4-2-14(3-5-17)18-6-7-19-14/h8-9H,2-7H2,1H3.
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114768261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).