6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile

C13H17N3O — CID 113336612

IUPAC6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile
SMILESCC1(C)CC(Nc2cccc(C#N)n2)CCO1
InChIInChI=1S/C13H17N3O/c1-13(2)8-10(6-7-17-13)15-12-5-3-4-11(9-14)16-12/h3-5,10H,6-8H2,1-2H3,(H,15,16)
InChIKeyJDSQEECLDOYNCY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.32
Rot. Bonds2

About 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile

6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile (PubChem CID 113336612) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile
PubChem CID113336612
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile
SMILESCC1(C)CC(Nc2cccc(C#N)n2)CCO1
InChIInChI=1S/C13H17N3O/c1-13(2)8-10(6-7-17-13)15-12-5-3-4-11(9-14)16-12/h3-5,10H,6-8H2,1-2H3,(H,15,16)
InChIKeyJDSQEECLDOYNCY-UHFFFAOYSA-N
XLogP2.32
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213
5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 83029223
6-(oxolan-3-ylamino)pyridine-2-carbonitrile
CID 80713825
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
N-(2,2-dimethyloxan-4-yl)quinolin-2-amine
CID 115563852
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545039
6-[(3-methylcyclopentyl)amino]pyridine-2-carbonitrile
CID 114546536
4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
6-(piperidin-4-ylamino)pyridine-2-carbonitrile
CID 64589581
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 83039065
6-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbonitrile
CID 65471253

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile (CID 113336612) is 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile is CC1(C)CC(Nc2cccc(C#N)n2)CCO1.
What is the InChIKey of 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile?
The InChIKey is JDSQEECLDOYNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2)8-10(6-7-17-13)15-12-5-3-4-11(9-14)16-12/h3-5,10H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile?
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 113336612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).