6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide

C30H30N6O2+2 — CID 58984392

IUPAC6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide
SMILESCc1cc(N(C)C)c2cc(NC(=O)c3cccc(C(=O)Nc4ccc5c(ccc[n+]5C)c4)n3)ccc2[n+]1C
InChIInChI=1S/C30H28N6O2/c1-19-16-28(34(2)3)23-18-22(12-14-27(23)36(19)5)32-30(38)25-10-6-9-24(33-25)29(37)31-21-11-13-26-20(17-21)8-7-15-35(26)4/h6-18H,1-5H3/p+2
InChIKeyLZRNMPNPYZIQAE-UHFFFAOYSA-P
MW506.61 g/mol
LogP3.92
Rot. Bonds5

About 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide

6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide (PubChem CID 58984392) has the molecular formula C30H30N6O2+2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide
PubChem CID58984392
Molecular FormulaC30H30N6O2+2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC Name6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide
SMILESCc1cc(N(C)C)c2cc(NC(=O)c3cccc(C(=O)Nc4ccc5c(ccc[n+]5C)c4)n3)ccc2[n+]1C
InChIInChI=1S/C30H28N6O2/c1-19-16-28(34(2)3)23-18-22(12-14-27(23)36(19)5)32-30(38)25-10-6-9-24(33-25)29(37)31-21-11-13-26-20(17-21)8-7-15-35(26)4/h6-18H,1-5H3/p+2
InChIKeyLZRNMPNPYZIQAE-UHFFFAOYSA-P
XLogP3.92
TPSA82.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide (CID 58984392) is 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide is Cc1cc(N(C)C)c2cc(NC(=O)c3cccc(C(=O)Nc4ccc5c(ccc[n+]5C)c4)n3)ccc2[n+]1C.
What is the InChIKey of 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide?
The InChIKey is LZRNMPNPYZIQAE-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H28N6O2/c1-19-16-28(34(2)3)23-18-22(12-14-27(23)36(19)5)32-30(38)25-10-6-9-24(33-25)29(37)31-21-11-13-26-20(17-21)8-7-15-35(26)4/h6-18H,1-5H3/p+2.
What are the key properties of 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide?
6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide has a molecular weight of 506.61 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)-1,2-dimethylquinolin-1-ium-6-yl]-2-N-(1-methylquinolin-1-ium-6-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 58984392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).