2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile

C14H21N3 — CID 55004808

IUPAC2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
SMILESCCCCN(c1cc(C#N)ccn1)C(C)CC
InChIInChI=1S/C14H21N3/c1-4-6-9-17(12(3)5-2)14-10-13(11-15)7-8-16-14/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyVPISJOSIJYODOS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.36
Rot. Bonds6

About 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile

2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile (PubChem CID 55004808) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
PubChem CID55004808
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
SMILESCCCCN(c1cc(C#N)ccn1)C(C)CC
InChIInChI=1S/C14H21N3/c1-4-6-9-17(12(3)5-2)14-10-13(11-15)7-8-16-14/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyVPISJOSIJYODOS-UHFFFAOYSA-N
XLogP3.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile (CID 55004808) is 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile is CCCCN(c1cc(C#N)ccn1)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile?
The InChIKey is VPISJOSIJYODOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-6-9-17(12(3)5-2)14-10-13(11-15)7-8-16-14/h7-8,10,12H,4-6,9H2,1-3H3.
What are the key properties of 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile?
2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 55004808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).