3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile

C12H16N4O — CID 103468682

IUPAC3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(CC1CC(O)C1)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H16N4O/c1-16(7-8-4-9(17)5-8)12-3-2-10(14)11(6-13)15-12/h2-3,8-9,17H,4-5,7,14H2,1H3
InChIKeyXXTXQDJCLJXJON-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile

3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile (PubChem CID 103468682) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
PubChem CID103468682
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(CC1CC(O)C1)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H16N4O/c1-16(7-8-4-9(17)5-8)12-3-2-10(14)11(6-13)15-12/h2-3,8-9,17H,4-5,7,14H2,1H3
InChIKeyXXTXQDJCLJXJON-UHFFFAOYSA-N
XLogP0.74
TPSA86.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]acetamide
CID 103467544
3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
CID 103468460
3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 81133179
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
CID 103467546
3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103467785
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80855794
3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
CID 103467619
3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 103467674
3-[[(6-hydrazinylpyrazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80921853
5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 107372474
3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103468015

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile (CID 103468682) is 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile is CN(CC1CC(O)C1)c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile?
The InChIKey is XXTXQDJCLJXJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(7-8-4-9(17)5-8)12-3-2-10(14)11(6-13)15-12/h2-3,8-9,17H,4-5,7,14H2,1H3.
What are the key properties of 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile?
3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).