2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile

C14H20ClN3 — CID 83074738

IUPAC2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile
SMILESCCC(CC)CN(CC)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H20ClN3/c1-4-11(5-2)10-18(6-3)14-8-12(9-16)7-13(15)17-14/h7-8,11H,4-6,10H2,1-3H3
InChIKeyYZDPJXMYBFVHSF-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.87
Rot. Bonds6

About 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile

2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile (PubChem CID 83074738) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile
PubChem CID83074738
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile
SMILESCCC(CC)CN(CC)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H20ClN3/c1-4-11(5-2)10-18(6-3)14-8-12(9-16)7-13(15)17-14/h7-8,11H,4-6,10H2,1-3H3
InChIKeyYZDPJXMYBFVHSF-UHFFFAOYSA-N
XLogP3.87
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile (CID 83074738) is 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile is CCC(CC)CN(CC)c1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile?
The InChIKey is YZDPJXMYBFVHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-11(5-2)10-18(6-3)14-8-12(9-16)7-13(15)17-14/h7-8,11H,4-6,10H2,1-3H3.
What are the key properties of 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile has a molecular weight of 265.79 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83074738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).