ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate

C18H22N2O2 — CID 101498769

IUPACethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(CC(C)(C)C)nc1-c1ccccn1
InChIInChI=1S/C18H22N2O2/c1-5-22-17(21)14-10-9-13(12-18(2,3)4)20-16(14)15-8-6-7-11-19-15/h6-11H,5,12H2,1-4H3
InChIKeyUIPZTZRDCYNIRE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.91
Rot. Bonds4

About ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate

ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate (PubChem CID 101498769) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate
PubChem CID101498769
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nameethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(CC(C)(C)C)nc1-c1ccccn1
InChIInChI=1S/C18H22N2O2/c1-5-22-17(21)14-10-9-13(12-18(2,3)4)20-16(14)15-8-6-7-11-19-15/h6-11H,5,12H2,1-4H3
InChIKeyUIPZTZRDCYNIRE-UHFFFAOYSA-N
XLogP3.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-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

Related Compounds

diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 601590
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077
ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
CID 56590056
ethyl pyridine-2-carboxylate
CID 17307
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331532
ethyl 3-oxo-5-pyridin-2-ylpyrazole-4-carboxylate
CID 70471541
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate (CID 101498769) is ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate is CCOC(=O)c1ccc(CC(C)(C)C)nc1-c1ccccn1.
What is the InChIKey of ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate?
The InChIKey is UIPZTZRDCYNIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-22-17(21)14-10-9-13(12-18(2,3)4)20-16(14)15-8-6-7-11-19-15/h6-11H,5,12H2,1-4H3.
What are the key properties of ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate?
ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 101498769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).