6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C19H27N3O — CID 657458

IUPAC6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-4-17-16-12-23-19(2,3)10-14(16)15(11-20)18(22-17)21-13-8-6-5-7-9-13/h13H,4-10,12H2,1-3H3,(H,21,22)
InChIKeyWZVYKSULRNVZPV-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.11
Rot. Bonds3

About 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 657458) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID657458
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-4-17-16-12-23-19(2,3)10-14(16)15(11-20)18(22-17)21-13-8-6-5-7-9-13/h13H,4-10,12H2,1-3H3,(H,21,22)
InChIKeyWZVYKSULRNVZPV-UHFFFAOYSA-N
XLogP4.11
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 657458) is 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is WZVYKSULRNVZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-17-16-12-23-19(2,3)10-14(16)15(11-20)18(22-17)21-13-8-6-5-7-9-13/h13H,4-10,12H2,1-3H3,(H,21,22).
What are the key properties of 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 313.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 657458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).