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

C19H27N3O — CID 3838066

IUPAC8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-4-5-8-17-16-13-23-19(2,3)11-14(16)15(12-20)18(21-17)22-9-6-7-10-22/h4-11,13H2,1-3H3
InChIKeyCGZWSCPLRNTPJD-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.75
Rot. Bonds4

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

8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 3838066) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID3838066
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-4-5-8-17-16-13-23-19(2,3)11-14(16)15(12-20)18(21-17)22-9-6-7-10-22/h4-11,13H2,1-3H3
InChIKeyCGZWSCPLRNTPJD-UHFFFAOYSA-N
XLogP3.75
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 3838066) is 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is CGZWSCPLRNTPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-5-8-17-16-13-23-19(2,3)11-14(16)15(12-20)18(21-17)22-9-6-7-10-22/h4-11,13H2,1-3H3.
What are the key properties of 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 313.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 3838066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).