2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile

C15H20N4OS — CID 44615890

IUPAC2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCC(C)(C)OCCCCSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C15H20N4OS/c1-15(2,3)20-6-4-5-7-21-14-12(10-17)8-11(9-16)13(18)19-14/h8H,4-7H2,1-3H3,(H2,18,19)
InChIKeySTCCYBVFCNHZPQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.09
Rot. Bonds6

About 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile

2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 44615890) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID44615890
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCC(C)(C)OCCCCSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C15H20N4OS/c1-15(2,3)20-6-4-5-7-21-14-12(10-17)8-11(9-16)13(18)19-14/h8H,4-7H2,1-3H3,(H2,18,19)
InChIKeySTCCYBVFCNHZPQ-UHFFFAOYSA-N
XLogP3.09
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile (CID 44615890) is 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile is CC(C)(C)OCCCCSc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is STCCYBVFCNHZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-15(2,3)20-6-4-5-7-21-14-12(10-17)8-11(9-16)13(18)19-14/h8H,4-7H2,1-3H3,(H2,18,19).
What are the key properties of 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 304.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 44615890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).