[10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate

C23H24N2O4 — CID 170673981

IUPAC[10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate
SMILESO=C(OC1C2CC(C3CCCCC32)C1OC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C23H24N2O4/c26-22(14-5-3-9-24-12-14)28-20-18-11-19(17-8-2-1-7-16(17)18)21(20)29-23(27)15-6-4-10-25-13-15/h3-6,9-10,12-13,16-21H,1-2,7-8,11H2
InChIKeyVDGQNKWPLFQBGS-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.68
Rot. Bonds4

About [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate

[10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate (PubChem CID 170673981) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate
PubChem CID170673981
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate
SMILESO=C(OC1C2CC(C3CCCCC32)C1OC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C23H24N2O4/c26-22(14-5-3-9-24-12-14)28-20-18-11-19(17-8-2-1-7-16(17)18)21(20)29-23(27)15-6-4-10-25-13-15/h3-6,9-10,12-13,16-21H,1-2,7-8,11H2
InChIKeyVDGQNKWPLFQBGS-UHFFFAOYSA-N
XLogP3.68
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 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

Related Compounds

[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate
CID 46226602
N-cyclopentylpyridine-3-carboxamide
CID 805532
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate
CID 152529548
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pyridine-3-carboxylate
CID 13140543
[10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate
CID 170674267
[10-(2-methylbenzoyl)oxy-9-tricyclo[6.2.1.02,7]undecanyl] 2-methylbenzoate
CID 166987407
(2-cyclohexylphenyl) pyridine-3-carboxylate
CID 3059644
(111C)methyl pyridine-3-carboxylate
CID 11309537
[(1R,5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate;hydrate
CID 67947071
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260

Frequently Asked Questions

What is the IUPAC name of [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate?
The IUPAC name of [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate (CID 170673981) is [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate.
What is the SMILES notation for [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate?
The canonical SMILES for [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate is O=C(OC1C2CC(C3CCCCC32)C1OC(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate?
The InChIKey is VDGQNKWPLFQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(14-5-3-9-24-12-14)28-20-18-11-19(17-8-2-1-7-16(17)18)21(20)29-23(27)15-6-4-10-25-13-15/h3-6,9-10,12-13,16-21H,1-2,7-8,11H2.
What are the key properties of [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate?
[10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate is sourced from PubChem (CID 170673981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).