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

C12H16N4O — CID 103467674

IUPAC3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
SMILESCN(c1ccc(N)c(C#N)n1)C1CCOCC1
InChIInChI=1S/C12H16N4O/c1-16(9-4-6-17-7-5-9)12-3-2-10(14)11(8-13)15-12/h2-3,9H,4-7,14H2,1H3
InChIKeyJCHHWOJPAFBJCE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.15
Rot. Bonds2

About 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile

3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile (PubChem CID 103467674) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
PubChem CID103467674
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
SMILESCN(c1ccc(N)c(C#N)n1)C1CCOCC1
InChIInChI=1S/C12H16N4O/c1-16(9-4-6-17-7-5-9)12-3-2-10(14)11(8-13)15-12/h2-3,9H,4-7,14H2,1H3
InChIKeyJCHHWOJPAFBJCE-UHFFFAOYSA-N
XLogP1.15
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
CID 103468909
6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 64594895
3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
CID 103467619
2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 115143283
2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 107543747
3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103468015
3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
CID 103468460
3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103468682
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyrazin-2-amine
CID 66457022
2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115266208
N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 175652021
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]acetamide
CID 103467544

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile (CID 103467674) is 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile is CN(c1ccc(N)c(C#N)n1)C1CCOCC1.
What is the InChIKey of 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile?
The InChIKey is JCHHWOJPAFBJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(9-4-6-17-7-5-9)12-3-2-10(14)11(8-13)15-12/h2-3,9H,4-7,14H2,1H3.
What are the key properties of 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile?
3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103467674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).