6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile

C15H19N3O2 — CID 124887089

IUPAC6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
SMILESC[C@H]1CN(c2cccc(C#N)n2)C[C@]2(CCCOC2)O1
InChIInChI=1S/C15H19N3O2/c1-12-9-18(14-5-2-4-13(8-16)17-14)10-15(20-12)6-3-7-19-11-15/h2,4-5,12H,3,6-7,9-11H2,1H3/t12-,15-/m0/s1
InChIKeyDRJHQGUWIQQJAV-WFASDCNBSA-N
MW273.34 g/mol
LogP1.73
Rot. Bonds1

About 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile

6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile (PubChem CID 124887089) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
PubChem CID124887089
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
SMILESC[C@H]1CN(c2cccc(C#N)n2)C[C@]2(CCCOC2)O1
InChIInChI=1S/C15H19N3O2/c1-12-9-18(14-5-2-4-13(8-16)17-14)10-15(20-12)6-3-7-19-11-15/h2,4-5,12H,3,6-7,9-11H2,1H3/t12-,15-/m0/s1
InChIKeyDRJHQGUWIQQJAV-WFASDCNBSA-N
XLogP1.73
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6R)-2-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]-1,8-dioxa-4-azaspiro[5.5]undecane
CID 124886380
(2S,6S)-4-(1H-benzimidazol-2-yl)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecane
CID 124887240
(2S,6S)-4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecane
CID 124888708
6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid
CID 122057048
6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
CID 146386502
6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64595716
4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 63588228
6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile
CID 97494759
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 115315735
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
6-[(6S)-2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile
CID 97494753
6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile
CID 56861281

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile (CID 124887089) is 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile is C[C@H]1CN(c2cccc(C#N)n2)C[C@]2(CCCOC2)O1.
What is the InChIKey of 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile?
The InChIKey is DRJHQGUWIQQJAV-WFASDCNBSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-9-18(14-5-2-4-13(8-16)17-14)10-15(20-12)6-3-7-19-11-15/h2,4-5,12H,3,6-7,9-11H2,1H3/t12-,15-/m0/s1.
What are the key properties of 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile?
6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 124887089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).