6-(1-cyclobutylethylamino)pyridine-2-carbonitrile

C12H15N3 — CID 115766717

IUPAC6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
SMILESCC(Nc1cccc(C#N)n1)C1CCC1
InChIInChI=1S/C12H15N3/c1-9(10-4-2-5-10)14-12-7-3-6-11(8-13)15-12/h3,6-7,9-10H,2,4-5H2,1H3,(H,14,15)
InChIKeyIJPCQXQDLHVVFP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.55
Rot. Bonds3

About 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile

6-(1-cyclobutylethylamino)pyridine-2-carbonitrile (PubChem CID 115766717) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
PubChem CID115766717
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
SMILESCC(Nc1cccc(C#N)n1)C1CCC1
InChIInChI=1S/C12H15N3/c1-9(10-4-2-5-10)14-12-7-3-6-11(8-13)15-12/h3,6-7,9-10H,2,4-5H2,1H3,(H,14,15)
InChIKeyIJPCQXQDLHVVFP-UHFFFAOYSA-N
XLogP2.55
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
6-Amino-2,4-dimethyl-3-pyridinecarbonitrile
CID 3793299
6-(Cyclohexylamino)pyridine-2-carbonitrile
CID 16108897
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinonitrile
CID 706821
2-[1-[(4-Methyl-2-pyridinyl)amino]ethylidene]propanedinitrile
CID 3598085
(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-4-carbonitrile
CID 44409124
1-(6-Methylpyridin-2-YL)-1,4-diazepane
CID 24208848
6-(Ethylamino)-3-pyridinecarbonitrile
CID 24701445
N,6-dimethylpyridin-2-amine
CID 3839092
6-Aminopyridine-2-carbonitrile
CID 564298

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile (CID 115766717) is 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile is CC(Nc1cccc(C#N)n1)C1CCC1.
What is the InChIKey of 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile?
The InChIKey is IJPCQXQDLHVVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(10-4-2-5-10)14-12-7-3-6-11(8-13)15-12/h3,6-7,9-10H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile?
6-(1-cyclobutylethylamino)pyridine-2-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclobutylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115766717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).