4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile

C17H24N4O — CID 138379468

IUPAC4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCOC3(CCN(C)CC3)C2)n1
InChIInChI=1S/C17H24N4O/c1-13-10-14(2)19-16(15(13)11-18)21-8-9-22-17(12-21)4-6-20(3)7-5-17/h10H,4-9,12H2,1-3H3
InChIKeyLRQRSTWPSWVODF-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.87
Rot. Bonds1

About 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile

4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile (PubChem CID 138379468) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
PubChem CID138379468
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCOC3(CCN(C)CC3)C2)n1
InChIInChI=1S/C17H24N4O/c1-13-10-14(2)19-16(15(13)11-18)21-8-9-22-17(12-21)4-6-20(3)7-5-17/h10H,4-9,12H2,1-3H3
InChIKeyLRQRSTWPSWVODF-UHFFFAOYSA-N
XLogP1.87
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
CID 56916954
9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile
CID 175927128
4,6-dimethyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166601275
9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
CID 72857697
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 164695336
4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 60658707
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562
4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
CID 72856465
5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 138383282
N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
CID 129326461

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile (CID 138379468) is 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCOC3(CCN(C)CC3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The InChIKey is LRQRSTWPSWVODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-10-14(2)19-16(15(13)11-18)21-8-9-22-17(12-21)4-6-20(3)7-5-17/h10H,4-9,12H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 138379468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).