6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile

C11H12N4 — CID 59848748

IUPAC6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile
SMILES[C-]#[N+]c1cc(C#N)c(C(C)(C)C)nc1N
InChIInChI=1S/C11H12N4/c1-11(2,3)9-7(6-12)5-8(14-4)10(13)15-9/h5H,1-3H3,(H2,13,15)
InChIKeyAPIMDHSLCUHNJW-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.38
Rot. Bonds

About 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile

6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile (PubChem CID 59848748) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile
PubChem CID59848748
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile
SMILES[C-]#[N+]c1cc(C#N)c(C(C)(C)C)nc1N
InChIInChI=1S/C11H12N4/c1-11(2,3)9-7(6-12)5-8(14-4)10(13)15-9/h5H,1-3H3,(H2,13,15)
InChIKeyAPIMDHSLCUHNJW-UHFFFAOYSA-N
XLogP2.38
TPSA67.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile (CID 59848748) is 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile is [C-]#[N+]c1cc(C#N)c(C(C)(C)C)nc1N.
What is the InChIKey of 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile?
The InChIKey is APIMDHSLCUHNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-11(2,3)9-7(6-12)5-8(14-4)10(13)15-9/h5H,1-3H3,(H2,13,15).
What are the key properties of 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile?
6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile is sourced from PubChem (CID 59848748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).