6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C15H21N3O — CID 71825856

IUPAC6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(N)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C15H21N3O/c1-4-5-6-13-12-9-19-15(2,3)7-10(12)11(8-16)14(17)18-13/h4-7,9H2,1-3H3,(H2,17,18)
InChIKeyZHNWYBQPQBGHJH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.73
Rot. Bonds3

About 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71825856) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71825856
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(N)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C15H21N3O/c1-4-5-6-13-12-9-19-15(2,3)7-10(12)11(8-16)14(17)18-13/h4-7,9H2,1-3H3,(H2,17,18)
InChIKeyZHNWYBQPQBGHJH-UHFFFAOYSA-N
XLogP2.73
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71825856) is 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCCc1nc(N)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is ZHNWYBQPQBGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-5-6-13-12-9-19-15(2,3)7-10(12)11(8-16)14(17)18-13/h4-7,9H2,1-3H3,(H2,17,18).
What are the key properties of 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71825856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).