6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C24H22N2O2 — CID 71521716

IUPAC6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCOc1ccccc1C(c1cccnc1)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C24H22N2O2/c1-28-21-7-3-2-6-20(21)23(18-5-4-11-25-15-18)19-13-16-8-9-22(27)26-12-10-17(14-19)24(16)26/h2-7,11,13-15,23H,8-10,12H2,1H3
InChIKeyZFAYMNZFQOEKNJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.11
Rot. Bonds4

About 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 71521716) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID71521716
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCOc1ccccc1C(c1cccnc1)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C24H22N2O2/c1-28-21-7-3-2-6-20(21)23(18-5-4-11-25-15-18)19-13-16-8-9-22(27)26-12-10-17(14-19)24(16)26/h2-7,11,13-15,23H,8-10,12H2,1H3
InChIKeyZFAYMNZFQOEKNJ-UHFFFAOYSA-N
XLogP4.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one 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 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 71521716) is 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is COc1ccccc1C(c1cccnc1)c1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is ZFAYMNZFQOEKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-28-21-7-3-2-6-20(21)23(18-5-4-11-25-15-18)19-13-16-8-9-22(27)26-12-10-17(14-19)24(16)26/h2-7,11,13-15,23H,8-10,12H2,1H3.
What are the key properties of 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 370.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 71521716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).