2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile

C12H13N3 — CID 114766321

IUPAC2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile
SMILESC#CC(C)(C)Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H13N3/c1-5-12(3,4)15-11-7-10(8-13)6-9(2)14-11/h1,6-7H,2-4H3,(H,14,15)
InChIKeyWXASUSSVFCZREP-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile

2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile (PubChem CID 114766321) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile
PubChem CID114766321
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile
SMILESC#CC(C)(C)Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H13N3/c1-5-12(3,4)15-11-7-10(8-13)6-9(2)14-11/h1,6-7H,2-4H3,(H,14,15)
InChIKeyWXASUSSVFCZREP-UHFFFAOYSA-N
XLogP2.09
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile (CID 114766321) is 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile is C#CC(C)(C)Nc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is WXASUSSVFCZREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-5-12(3,4)15-11-7-10(8-13)6-9(2)14-11/h1,6-7H,2-4H3,(H,14,15).
What are the key properties of 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile?
2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 114766321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).