2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide

C22H20N6O2+2 — CID 56957499

IUPAC2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide
SMILESC[n+]1cccc(NC(=O)c2ccc3ccc(C(=O)Nc4ccc[n+](C)c4)nc3n2)c1
InChIInChI=1S/C22H18N6O2/c1-27-11-3-5-16(13-27)23-21(29)18-9-7-15-8-10-19(26-20(15)25-18)22(30)24-17-6-4-12-28(2)14-17/h3-14H,1-2H3/p+2
InChIKeyRDLNQSOEZCQOMR-UHFFFAOYSA-P
MW400.44 g/mol
LogP1.78
Rot. Bonds4

About 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide

2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide (PubChem CID 56957499) has the molecular formula C22H20N6O2+2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide.

Molecular Properties

Compound Name2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide
PubChem CID56957499
Molecular FormulaC22H20N6O2+2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide
SMILESC[n+]1cccc(NC(=O)c2ccc3ccc(C(=O)Nc4ccc[n+](C)c4)nc3n2)c1
InChIInChI=1S/C22H18N6O2/c1-27-11-3-5-16(13-27)23-21(29)18-9-7-15-8-10-19(26-20(15)25-18)22(30)24-17-6-4-12-28(2)14-17/h3-14H,1-2H3/p+2
InChIKeyRDLNQSOEZCQOMR-UHFFFAOYSA-P
XLogP1.78
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide?
The IUPAC name of 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide (CID 56957499) is 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide.
What is the SMILES notation for 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide?
The canonical SMILES for 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide is C[n+]1cccc(NC(=O)c2ccc3ccc(C(=O)Nc4ccc[n+](C)c4)nc3n2)c1.
What is the InChIKey of 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide?
The InChIKey is RDLNQSOEZCQOMR-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H18N6O2/c1-27-11-3-5-16(13-27)23-21(29)18-9-7-15-8-10-19(26-20(15)25-18)22(30)24-17-6-4-12-28(2)14-17/h3-14H,1-2H3/p+2.
What are the key properties of 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide?
2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide has a molecular weight of 400.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide is sourced from PubChem (CID 56957499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).