3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile

C13H20N4 — CID 82817461

IUPAC3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
SMILESCC(N(C)c1nccc(C#N)c1N)C(C)(C)C
InChIInChI=1S/C13H20N4/c1-9(13(2,3)4)17(5)12-11(15)10(8-14)6-7-16-12/h6-7,9H,15H2,1-5H3
InChIKeyOIFPHPTWSQOAMZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.41
Rot. Bonds2

About 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile

3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 82817461) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
PubChem CID82817461
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
SMILESCC(N(C)c1nccc(C#N)c1N)C(C)(C)C
InChIInChI=1S/C13H20N4/c1-9(13(2,3)4)17(5)12-11(15)10(8-14)6-7-16-12/h6-7,9H,15H2,1-5H3
InChIKeyOIFPHPTWSQOAMZ-UHFFFAOYSA-N
XLogP2.41
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile (CID 82817461) is 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile is CC(N(C)c1nccc(C#N)c1N)C(C)(C)C.
What is the InChIKey of 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is OIFPHPTWSQOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(13(2,3)4)17(5)12-11(15)10(8-14)6-7-16-12/h6-7,9H,15H2,1-5H3.
What are the key properties of 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile?
3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).