2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium

C15H18N3+ — CID 148626443

IUPAC2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium
SMILESC1=CNC(C2=[N+]=C(C3=NCCC=C3)CCC2)C=C1
InChIInChI=1S/C15H18N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-3,6-7,10,12,16H,4-5,8-9,11H2/q+1
InChIKeyLBIBQGWYXWQXCL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.56
Rot. Bonds2

About 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium

2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium (PubChem CID 148626443) has the molecular formula C15H18N3+ and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium
PubChem CID148626443
Molecular FormulaC15H18N3+
Molecular Weight240.33 g/mol
Exact Mass240.15
IUPAC Name2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium
SMILESC1=CNC(C2=[N+]=C(C3=NCCC=C3)CCC2)C=C1
InChIInChI=1S/C15H18N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-3,6-7,10,12,16H,4-5,8-9,11H2/q+1
InChIKeyLBIBQGWYXWQXCL-UHFFFAOYSA-N
XLogP1.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium 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

1,2,3,4,4a,5,6,7-Octahydrophenazine
CID 90891818
Hexahydro 5h dibenzo[b,e][1,4]diazepine
CID 129815461
Hexahydrodibenzo[b,h][1,6]naphthyridine
CID 168266461
1,8a-Dihydroquinoxaline
CID 21990073
2-(4-Methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline
CID 70815934
(2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine
CID 71065143
2-(1,2-Dihydropyridin-6-yl)-3,4-dihydropyridine
CID 89050135
2-[1-(1,2-Dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine
CID 89188300
6-(1,2-Dihydropyridin-2-yl)-2-(3,4-dihydropyridin-6-yl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyridine
CID 89657953
6-(1,2,3,6-Tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 123843797
2-(1,2-Dihydropyridin-5-yl)-6-(3,4-dihydropyridin-2-yl)-1,2-dihydropyridine
CID 141002624
1,8a-Dihydroquinoxaline;ethane
CID 144316378

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium?
The IUPAC name of 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium (CID 148626443) is 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium?
The canonical SMILES for 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium is C1=CNC(C2=[N+]=C(C3=NCCC=C3)CCC2)C=C1.
What is the InChIKey of 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium?
The InChIKey is LBIBQGWYXWQXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-3,6-7,10,12,16H,4-5,8-9,11H2/q+1.
What are the key properties of 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium?
2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium has a molecular weight of 240.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-2-yl)-6-(2,3-dihydropyridin-6-yl)-4,5-dihydro-3H-pyridin-1-ium is sourced from PubChem (CID 148626443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).