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

C17H23N3O — CID 752327

IUPAC8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C17H23N3O/c1-4-15-14-11-21-17(2,3)9-12(14)13(10-18)16(19-15)20-7-5-6-8-20/h4-9,11H2,1-3H3
InChIKeyJTFRLMISPSZMHQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.97
Rot. Bonds2

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

8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 752327) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID752327
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C17H23N3O/c1-4-15-14-11-21-17(2,3)9-12(14)13(10-18)16(19-15)20-7-5-6-8-20/h4-9,11H2,1-3H3
InChIKeyJTFRLMISPSZMHQ-UHFFFAOYSA-N
XLogP2.97
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 752327) is 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is JTFRLMISPSZMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-15-14-11-21-17(2,3)9-12(14)13(10-18)16(19-15)20-7-5-6-8-20/h4-9,11H2,1-3H3.
What are the key properties of 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,3-dimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 752327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).