6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile

C13H19N3 — CID 79469803

IUPAC6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile
SMILESCCC(C)CN(CC)c1cccc(C#N)n1
InChIInChI=1S/C13H19N3/c1-4-11(3)10-16(5-2)13-8-6-7-12(9-14)15-13/h6-8,11H,4-5,10H2,1-3H3
InChIKeyXPZOKCPGOALRFA-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.83
Rot. Bonds5

About 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile

6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile (PubChem CID 79469803) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile
PubChem CID79469803
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile
SMILESCCC(C)CN(CC)c1cccc(C#N)n1
InChIInChI=1S/C13H19N3/c1-4-11(3)10-16(5-2)13-8-6-7-12(9-14)15-13/h6-8,11H,4-5,10H2,1-3H3
InChIKeyXPZOKCPGOALRFA-UHFFFAOYSA-N
XLogP2.83
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile (CID 79469803) is 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile is CCC(C)CN(CC)c1cccc(C#N)n1.
What is the InChIKey of 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile?
The InChIKey is XPZOKCPGOALRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-11(3)10-16(5-2)13-8-6-7-12(9-14)15-13/h6-8,11H,4-5,10H2,1-3H3.
What are the key properties of 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile?
6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 79469803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).