3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile

C12H18N4O — CID 103467827

IUPAC3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
SMILESCCCCN(CCO)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4O/c1-2-3-6-16(7-8-17)12-5-4-10(14)11(9-13)15-12/h4-5,17H,2-3,6-8,14H2,1H3
InChIKeyOPALTNLSSVNYIQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds6

About 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile

3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile (PubChem CID 103467827) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
PubChem CID103467827
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
SMILESCCCCN(CCO)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4O/c1-2-3-6-16(7-8-17)12-5-4-10(14)11(9-13)15-12/h4-5,17H,2-3,6-8,14H2,1H3
InChIKeyOPALTNLSSVNYIQ-UHFFFAOYSA-N
XLogP1.13
TPSA86.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile (CID 103467827) is 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile is CCCCN(CCO)c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile?
The InChIKey is OPALTNLSSVNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-3-6-16(7-8-17)12-5-4-10(14)11(9-13)15-12/h4-5,17H,2-3,6-8,14H2,1H3.
What are the key properties of 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile?
3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103467827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).