6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile

C12H15N3O — CID 64594895

IUPAC6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
SMILESCN(c1cccc(C#N)n1)C1CCOCC1
InChIInChI=1S/C12H15N3O/c1-15(11-5-7-16-8-6-11)12-4-2-3-10(9-13)14-12/h2-4,11H,5-8H2,1H3
InChIKeyOVISPEIJZWZEBF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds2

About 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile

6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile (PubChem CID 64594895) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
PubChem CID64594895
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
SMILESCN(c1cccc(C#N)n1)C1CCOCC1
InChIInChI=1S/C12H15N3O/c1-15(11-5-7-16-8-6-11)12-4-2-3-10(9-13)14-12/h2-4,11H,5-8H2,1H3
InChIKeyOVISPEIJZWZEBF-UHFFFAOYSA-N
XLogP1.57
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 107543747
2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 115143283
3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 103467674
6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile
CID 133392538
6-[amino(methyl)amino]pyridine-2-carbonitrile
CID 53404430
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyrazin-2-amine
CID 66457022
6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbonitrile
CID 64596117
N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754420
N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 175652021
6-[cyclopropyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 64587411
N-cyclobutyl-N,6-dimethylpyridin-2-amine
CID 130668195
6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile
CID 115868730

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile (CID 64594895) is 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile is CN(c1cccc(C#N)n1)C1CCOCC1.
What is the InChIKey of 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile?
The InChIKey is OVISPEIJZWZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(11-5-7-16-8-6-11)12-4-2-3-10(9-13)14-12/h2-4,11H,5-8H2,1H3.
What are the key properties of 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile?
6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 64594895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).