1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole

C23H26N3+ — CID 159837794

IUPAC1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole
SMILESCc1cc2c(c(C)n1)c1ccc(C)c(C)c1n2-c1cc(C)c(C)c[n+]1C
InChIInChI=1S/C23H26N3/c1-13-8-9-19-22-18(6)24-16(4)11-20(22)26(23(19)17(13)5)21-10-14(2)15(3)12-25(21)7/h8-12H,1-7H3/q+1
InChIKeyADUXGIJGABKMPU-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.85
Rot. Bonds1

About 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole

1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole (PubChem CID 159837794) has the molecular formula C23H26N3+ and a molecular weight of 344.48 g/mol. Its IUPAC name is 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole
PubChem CID159837794
Molecular FormulaC23H26N3+
Molecular Weight344.48 g/mol
Exact Mass344.21
IUPAC Name1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole
SMILESCc1cc2c(c(C)n1)c1ccc(C)c(C)c1n2-c1cc(C)c(C)c[n+]1C
InChIInChI=1S/C23H26N3/c1-13-8-9-19-22-18(6)24-16(4)11-20(22)26(23(19)17(13)5)21-10-14(2)15(3)12-25(21)7/h8-12H,1-7H3/q+1
InChIKeyADUXGIJGABKMPU-UHFFFAOYSA-N
XLogP4.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
CID 158582788
1,3,8,10-tetramethyl-2,9-phenanthroline
CID 118895261
9-[4-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[5-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[4-[2,6-di(propan-2-yl)phenyl]-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole
CID 158431142
19-fluoro-3,4,10,11,14-pentamethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene
CID 166030459
9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole
CID 161135803
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
9,12-dimethyl-10-(1,4,5-trimethylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 147816252
3,7,8-trimethylisoquinoline
CID 155669978
4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 176845178
1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole
CID 10680671
2-tert-butyl-8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 157370919

Frequently Asked Questions

What is the IUPAC name of 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole?
The IUPAC name of 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole (CID 159837794) is 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole.
What is the SMILES notation for 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole?
The canonical SMILES for 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole is Cc1cc2c(c(C)n1)c1ccc(C)c(C)c1n2-c1cc(C)c(C)c[n+]1C.
What is the InChIKey of 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole?
The InChIKey is ADUXGIJGABKMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N3/c1-13-8-9-19-22-18(6)24-16(4)11-20(22)26(23(19)17(13)5)21-10-14(2)15(3)12-25(21)7/h8-12H,1-7H3/q+1.
What are the key properties of 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole?
1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole has a molecular weight of 344.48 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 159837794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).