(1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate

C23H26N4O2 — CID 166364329

IUPAC(1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate
SMILESCc1nccn1-c1ccc(C(=O)OC2CCN(Cc3ccccc3)C2(C)C)cn1
InChIInChI=1S/C23H26N4O2/c1-17-24-12-14-27(17)21-10-9-19(15-25-21)22(28)29-20-11-13-26(23(20,2)3)16-18-7-5-4-6-8-18/h4-10,12,14-15,20H,11,13,16H2,1-3H3
InChIKeyXGPSRXIWHYDBKM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.79
Rot. Bonds5

About (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate

(1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate (PubChem CID 166364329) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate
PubChem CID166364329
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate
SMILESCc1nccn1-c1ccc(C(=O)OC2CCN(Cc3ccccc3)C2(C)C)cn1
InChIInChI=1S/C23H26N4O2/c1-17-24-12-14-27(17)21-10-9-19(15-25-21)22(28)29-20-11-13-26(23(20,2)3)16-18-7-5-4-6-8-18/h4-10,12,14-15,20H,11,13,16H2,1-3H3
InChIKeyXGPSRXIWHYDBKM-UHFFFAOYSA-N
XLogP3.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate 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 (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate (CID 166364329) is (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate is Cc1nccn1-c1ccc(C(=O)OC2CCN(Cc3ccccc3)C2(C)C)cn1.
What is the InChIKey of (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate?
The InChIKey is XGPSRXIWHYDBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-24-12-14-27(17)21-10-9-19(15-25-21)22(28)29-20-11-13-26(23(20,2)3)16-18-7-5-4-6-8-18/h4-10,12,14-15,20H,11,13,16H2,1-3H3.
What are the key properties of (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate?
(1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate has a molecular weight of 390.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 166364329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).