3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide

C69H127BrIN7O2 — CID 160796722

IUPAC3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CCCC.CCCc1ccc(C)nc1C.CCCc1ccc(N2CCc3cccc(C(=O)NC)c3C2)nc1C.CNC(=O)c1cccc2c1CNCC2.Cc1ccc(Br)c(C)n1.I
InChIInChI=1S/C20H25N3O.C11H14N2O.C10H15N.C7H8BrN.C4H10.7C2H6.3CH4.HI/c1-4-6-15-9-10-19(22-14(15)2)23-12-11-16-7-5-8-17(18(16)13-23)20(24)21-3;1-12-11(14)9-4-2-3-8-5-6-13-7-10(8)9;1-4-5-10-7-6-8(2)11-9(10)3;1-5-3-4-7(8)6(2)9-5;1-3-4-2;7*1-2;;;;/h5,7-10H,4,6,11-13H2,1-3H3,(H,21,24);2-4,13H,5-7H2,1H3,(H,12,14);6-7H,4-5H2,1-3H3;3-4H,1-2H3;3-4H2,1-2H3;7*1-2H3;3*1H4;1H
InChIKeyIGIRRIYMHWBZEM-UHFFFAOYSA-N
MW1293.63 g/mol
LogP20.58
Rot. Bonds8

About 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide

3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide (PubChem CID 160796722) has the molecular formula C69H127BrIN7O2 and a molecular weight of 1293.63 g/mol. Its IUPAC name is 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide.

Molecular Properties

Compound Name3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide
PubChem CID160796722
Molecular FormulaC69H127BrIN7O2
Molecular Weight1293.63 g/mol
Exact Mass1291.83
IUPAC Name3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CCCC.CCCc1ccc(C)nc1C.CCCc1ccc(N2CCc3cccc(C(=O)NC)c3C2)nc1C.CNC(=O)c1cccc2c1CNCC2.Cc1ccc(Br)c(C)n1.I
InChIInChI=1S/C20H25N3O.C11H14N2O.C10H15N.C7H8BrN.C4H10.7C2H6.3CH4.HI/c1-4-6-15-9-10-19(22-14(15)2)23-12-11-16-7-5-8-17(18(16)13-23)20(24)21-3;1-12-11(14)9-4-2-3-8-5-6-13-7-10(8)9;1-4-5-10-7-6-8(2)11-9(10)3;1-5-3-4-7(8)6(2)9-5;1-3-4-2;7*1-2;;;;/h5,7-10H,4,6,11-13H2,1-3H3,(H,21,24);2-4,13H,5-7H2,1H3,(H,12,14);6-7H,4-5H2,1-3H3;3-4H,1-2H3;3-4H2,1-2H3;7*1-2H3;3*1H4;1H
InChIKeyIGIRRIYMHWBZEM-UHFFFAOYSA-N
XLogP20.58
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001293.63
LogP ≤ 520.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide?
The IUPAC name of 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide (CID 160796722) is 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide.
What is the SMILES notation for 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide?
The canonical SMILES for 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide is C.C.C.CC.CC.CC.CC.CC.CC.CC.CCCC.CCCc1ccc(C)nc1C.CCCc1ccc(N2CCc3cccc(C(=O)NC)c3C2)nc1C.CNC(=O)c1cccc2c1CNCC2.Cc1ccc(Br)c(C)n1.I.
What is the InChIKey of 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide?
The InChIKey is IGIRRIYMHWBZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.C11H14N2O.C10H15N.C7H8BrN.C4H10.7C2H6.3CH4.HI/c1-4-6-15-9-10-19(22-14(15)2)23-12-11-16-7-5-8-17(18(16)13-23)20(24)21-3;1-12-11(14)9-4-2-3-8-5-6-13-7-10(8)9;1-4-5-10-7-6-8(2)11-9(10)3;1-5-3-4-7(8)6(2)9-5;1-3-4-2;7*1-2;;;;/h5,7-10H,4,6,11-13H2,1-3H3,(H,21,24);2-4,13H,5-7H2,1H3,(H,12,14);6-7H,4-5H2,1-3H3;3-4H,1-2H3;3-4H2,1-2H3;7*1-2H3;3*1H4;1H.
What are the key properties of 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide?
3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide has a molecular weight of 1293.63 g/mol, XLogP of 20.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethylpyridine;butane;2,6-dimethyl-3-propylpyridine;ethane;methane;N-methyl-2-(6-methyl-5-propyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;hydroiodide is sourced from PubChem (CID 160796722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).