1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine

C21H23N — CID 21474133

IUPAC1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C21H23N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,12,21H,10-11,13-15H2,1H3
InChIKeyFMMGMXIBMFLHTD-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.18
Rot. Bonds1

About 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine (PubChem CID 21474133) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine
PubChem CID21474133
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C21H23N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,12,21H,10-11,13-15H2,1H3
InChIKeyFMMGMXIBMFLHTD-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine 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-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine (CID 21474133) is 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine is CN1CC=C(C2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is FMMGMXIBMFLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,12,21H,10-11,13-15H2,1H3.
What are the key properties of 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 289.42 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 21474133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).