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

C21H25N3O2 — CID 658952

IUPAC3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
SMILESCC1(C)Cc2c(c(-c3ccccc3)nc(N3CCCC3)c2C(N)=O)CO1
InChIInChI=1S/C21H25N3O2/c1-21(2)12-15-16(13-26-21)18(14-8-4-3-5-9-14)23-20(17(15)19(22)25)24-10-6-7-11-24/h3-5,8-9H,6-7,10-13H2,1-2H3,(H2,22,25)
InChIKeyLEEBRSMIYHGSFZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.30
Rot. Bonds3

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

3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide (PubChem CID 658952) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
PubChem CID658952
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
SMILESCC1(C)Cc2c(c(-c3ccccc3)nc(N3CCCC3)c2C(N)=O)CO1
InChIInChI=1S/C21H25N3O2/c1-21(2)12-15-16(13-26-21)18(14-8-4-3-5-9-14)23-20(17(15)19(22)25)24-10-6-7-11-24/h3-5,8-9H,6-7,10-13H2,1-2H3,(H2,22,25)
InChIKeyLEEBRSMIYHGSFZ-UHFFFAOYSA-N
XLogP3.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
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-carboxamide?
The IUPAC name of 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide (CID 658952) is 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
The canonical SMILES for 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide is CC1(C)Cc2c(c(-c3ccccc3)nc(N3CCCC3)c2C(N)=O)CO1.
What is the InChIKey of 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
The InChIKey is LEEBRSMIYHGSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2)12-15-16(13-26-21)18(14-8-4-3-5-9-14)23-20(17(15)19(22)25)24-10-6-7-11-24/h3-5,8-9H,6-7,10-13H2,1-2H3,(H2,22,25).
What are the key properties of 3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 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-carboxamide is sourced from PubChem (CID 658952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).