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

C21H23N3O — CID 752329

IUPAC3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCCC3)nc(-c3ccccc3)c2CO1
InChIInChI=1S/C21H23N3O/c1-21(2)12-16-17(13-22)20(24-10-6-7-11-24)23-19(18(16)14-25-21)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12,14H2,1-2H3
InChIKeyYEVWEXVUCUXUDX-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.07
Rot. Bonds2

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

3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 752329) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID752329
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCCC3)nc(-c3ccccc3)c2CO1
InChIInChI=1S/C21H23N3O/c1-21(2)12-16-17(13-22)20(24-10-6-7-11-24)23-19(18(16)14-25-21)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12,14H2,1-2H3
InChIKeyYEVWEXVUCUXUDX-UHFFFAOYSA-N
XLogP4.07
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 752329) is 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(N3CCCC3)nc(-c3ccccc3)c2CO1.
What is the InChIKey of 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is YEVWEXVUCUXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-21(2)12-16-17(13-22)20(24-10-6-7-11-24)23-19(18(16)14-25-21)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12,14H2,1-2H3.
What are the key properties of 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 333.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 752329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).