2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium

C62H72N8+4 — CID 159117294

IUPAC2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium
SMILESCc1ccncc1-c1c2c(cc[n+]1C)CCC2.Cc1ccncc1-c1c2c(cc[n+]1C)CCCC2.Cc1ccncc1-c1cc2c(c[n+]1C)CCC2.Cc1ccncc1-c1cc2c(c[n+]1C)CCCC2
InChIInChI=1S/2C16H19N2.2C15H17N2/c1-12-7-9-17-11-15(12)16-14-6-4-3-5-13(14)8-10-18(16)2;1-12-7-8-17-10-15(12)16-9-13-5-3-4-6-14(13)11-18(16)2;1-11-6-8-16-10-14(11)15-13-5-3-4-12(13)7-9-17(15)2;1-11-6-7-16-9-14(11)15-8-12-4-3-5-13(12)10-17(15)2/h2*7-11H,3-6H2,1-2H3;2*6-10H,3-5H2,1-2H3/q4*+1
InChIKeyIEEQMYUWNIBLGN-UHFFFAOYSA-N
MW929.31 g/mol
LogP10.26
Rot. Bonds4

About 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium

2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium (PubChem CID 159117294) has the molecular formula C62H72N8+4 and a molecular weight of 929.31 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium
PubChem CID159117294
Molecular FormulaC62H72N8+4
Molecular Weight929.31 g/mol
Exact Mass928.59
IUPAC Name2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium
SMILESCc1ccncc1-c1c2c(cc[n+]1C)CCC2.Cc1ccncc1-c1c2c(cc[n+]1C)CCCC2.Cc1ccncc1-c1cc2c(c[n+]1C)CCC2.Cc1ccncc1-c1cc2c(c[n+]1C)CCCC2
InChIInChI=1S/2C16H19N2.2C15H17N2/c1-12-7-9-17-11-15(12)16-14-6-4-3-5-13(14)8-10-18(16)2;1-12-7-8-17-10-15(12)16-9-13-5-3-4-6-14(13)11-18(16)2;1-11-6-8-16-10-14(11)15-13-5-3-4-12(13)7-9-17(15)2;1-11-6-7-16-9-14(11)15-8-12-4-3-5-13(12)10-17(15)2/h2*7-11H,3-6H2,1-2H3;2*6-10H,3-5H2,1-2H3/q4*+1
InChIKeyIEEQMYUWNIBLGN-UHFFFAOYSA-N
XLogP10.26
TPSA67.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.31
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium with MolForge

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Launch Full Analysis

Related Compounds

5,5-dideuterio-2-methyl-3-(2-methylphenyl)-6,7-dihydrocyclopenta[c]pyridin-2-ium;5,5-dideuterio-2-methyl-3-(2-methylphenyl)-7,8-dihydro-6H-isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;5,5,8,8-tetradeuterio-2-methyl-1-(2-methylphenyl)-6,7-dihydroisoquinolin-2-ium
CID 161363850
1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
CID 123509161
1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium
CID 123227132
6-tert-butyl-2-methyl-1-(4-methyl-3-pyridinyl)isoquinolin-2-ium
CID 155639106
6,6-dideuterio-2-methyl-1-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium
CID 140944399
3-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
CID 22758242
4-(2,2-dimethylpropyl)-1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 177075119
1-methyl-2-(3-methyl-4-pyridinyl)pyrazin-1-ium
CID 155790399
3-(3,5-dimethylphenyl)-4-methylpyridine
CID 102097764
2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]
CID 153452441
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
6-(2,5-dimethylphenyl)-5-methyl-3,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159715529

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium?
The IUPAC name of 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium (CID 159117294) is 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium?
The canonical SMILES for 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium is Cc1ccncc1-c1c2c(cc[n+]1C)CCC2.Cc1ccncc1-c1c2c(cc[n+]1C)CCCC2.Cc1ccncc1-c1cc2c(c[n+]1C)CCC2.Cc1ccncc1-c1cc2c(c[n+]1C)CCCC2.
What is the InChIKey of 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium?
The InChIKey is IEEQMYUWNIBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19N2.2C15H17N2/c1-12-7-9-17-11-15(12)16-14-6-4-3-5-13(14)8-10-18(16)2;1-12-7-8-17-10-15(12)16-9-13-5-3-4-6-14(13)11-18(16)2;1-11-6-8-16-10-14(11)15-13-5-3-4-12(13)7-9-17(15)2;1-11-6-7-16-9-14(11)15-8-12-4-3-5-13(12)10-17(15)2/h2*7-11H,3-6H2,1-2H3;2*6-10H,3-5H2,1-2H3/q4*+1.
What are the key properties of 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium?
2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium has a molecular weight of 929.31 g/mol, XLogP of 10.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium is sourced from PubChem (CID 159117294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).