2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C15H21N3O2 — CID 72897627

IUPAC2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@]1(C)O
InChIInChI=1S/C15H21N3O2/c1-9-7-18(8-15(9,2)20)14-11(13(16)19)6-10-4-3-5-12(10)17-14/h6,9,20H,3-5,7-8H2,1-2H3,(H2,16,19)/t9-,15+/m1/s1
InChIKeyGGFAMPVDMFROOT-PSLIRLAXSA-N
MW275.35 g/mol
LogP0.88
Rot. Bonds2

About 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72897627) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72897627
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@]1(C)O
InChIInChI=1S/C15H21N3O2/c1-9-7-18(8-15(9,2)20)14-11(13(16)19)6-10-4-3-5-12(10)17-14/h6,9,20H,3-5,7-8H2,1-2H3,(H2,16,19)/t9-,15+/m1/s1
InChIKeyGGFAMPVDMFROOT-PSLIRLAXSA-N
XLogP0.88
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72897627) is 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is C[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@]1(C)O.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is GGFAMPVDMFROOT-PSLIRLAXSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-7-18(8-15(9,2)20)14-11(13(16)19)6-10-4-3-5-12(10)17-14/h6,9,20H,3-5,7-8H2,1-2H3,(H2,16,19)/t9-,15+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72897627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).