5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile

C14H22N4 — CID 55005204

IUPAC5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile
SMILESCCCCN(c1ncc(N)cc1C#N)C(C)CC
InChIInChI=1S/C14H22N4/c1-4-6-7-18(11(3)5-2)14-12(9-15)8-13(16)10-17-14/h8,10-11H,4-7,16H2,1-3H3
InChIKeyQYKXNNKREDAQAN-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.94
Rot. Bonds6

About 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile

5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile (PubChem CID 55005204) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile
PubChem CID55005204
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile
SMILESCCCCN(c1ncc(N)cc1C#N)C(C)CC
InChIInChI=1S/C14H22N4/c1-4-6-7-18(11(3)5-2)14-12(9-15)8-13(16)10-17-14/h8,10-11H,4-7,16H2,1-3H3
InChIKeyQYKXNNKREDAQAN-UHFFFAOYSA-N
XLogP2.94
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile (CID 55005204) is 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile is CCCCN(c1ncc(N)cc1C#N)C(C)CC.
What is the InChIKey of 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile?
The InChIKey is QYKXNNKREDAQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-6-7-18(11(3)5-2)14-12(9-15)8-13(16)10-17-14/h8,10-11H,4-7,16H2,1-3H3.
What are the key properties of 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile?
5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 55005204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).