dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine

C40H42Li2N8 — CID 161266396

IUPACdilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine
SMILESCc1ccc2ccc(C)nc2n1.Cc1ccc2cccnc2n1.Cc1ccc2nc(C)ccc2n1.Cc1ccc2ncccc2n1.[CH3-].[CH3-].[Li+].[Li+]
InChIInChI=1S/2C10H10N2.2C9H8N2.2CH3.2Li/c1-7-3-5-10-9(11-7)6-4-8(2)12-10;1-7-3-5-9-6-4-8(2)12-10(9)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-5-8-3-2-6-10-9(8)11-7;;;;/h2*3-6H,1-2H3;2*2-6H,1H3;2*1H3;;/q;;;;2*-1;2*+1
InChIKeyGZPUVJGVTVNALD-UHFFFAOYSA-N
MW648.71 g/mol
LogP3.28
Rot. Bonds

About dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine

dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine (PubChem CID 161266396) has the molecular formula C40H42Li2N8 and a molecular weight of 648.71 g/mol. Its IUPAC name is dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine.

Molecular Properties

Compound Namedilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine
PubChem CID161266396
Molecular FormulaC40H42Li2N8
Molecular Weight648.71 g/mol
Exact Mass648.39
IUPAC Namedilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine
SMILESCc1ccc2ccc(C)nc2n1.Cc1ccc2cccnc2n1.Cc1ccc2nc(C)ccc2n1.Cc1ccc2ncccc2n1.[CH3-].[CH3-].[Li+].[Li+]
InChIInChI=1S/2C10H10N2.2C9H8N2.2CH3.2Li/c1-7-3-5-10-9(11-7)6-4-8(2)12-10;1-7-3-5-9-6-4-8(2)12-10(9)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-5-8-3-2-6-10-9(8)11-7;;;;/h2*3-6H,1-2H3;2*2-6H,1H3;2*1H3;;/q;;;;2*-1;2*+1
InChIKeyGZPUVJGVTVNALD-UHFFFAOYSA-N
XLogP3.28
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.71
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine with MolForge

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Related Compounds

6-methylpyrido[2,3-b]pyrazine
CID 10419316
2,7-dimethyl-1,8-naphthyridine
CID 594113
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CID 159073131
2-methylpyrido[2,3-b]pyrazine
CID 14964813
ethane;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;3-methyl-1,8-naphthyridine;3-methyl-2,6-naphthyridine;3-methyl-2,7-naphthyridine;6-methyl-1,7-naphthyridine;7-methyl-1,6-naphthyridine
CID 158451285
2-aminopyridine-3-carbaldehyde;methane;2-methyl-1,8-naphthyridine;propan-2-one
CID 160775686
2-methylbenzo[b][1,8]naphthyridine
CID 118895198
ethane;2-methylpyrido[2,3-b]pyrazine
CID 144598223
ethane;methane;2-methylquinoline
CID 144748871
2-methylquinoline;naphthalene;hydrochloride
CID 175029103
iridium(3+);1,5-naphthyridine
CID 175728214
3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium
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Frequently Asked Questions

What is the IUPAC name of dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine?
The IUPAC name of dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine (CID 161266396) is dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine.
What is the SMILES notation for dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine?
The canonical SMILES for dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine is Cc1ccc2ccc(C)nc2n1.Cc1ccc2cccnc2n1.Cc1ccc2nc(C)ccc2n1.Cc1ccc2ncccc2n1.[CH3-].[CH3-].[Li+].[Li+].
What is the InChIKey of dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine?
The InChIKey is GZPUVJGVTVNALD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2.2C9H8N2.2CH3.2Li/c1-7-3-5-10-9(11-7)6-4-8(2)12-10;1-7-3-5-9-6-4-8(2)12-10(9)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-5-8-3-2-6-10-9(8)11-7;;;;/h2*3-6H,1-2H3;2*2-6H,1H3;2*1H3;;/q;;;;2*-1;2*+1.
What are the key properties of dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine?
dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine has a molecular weight of 648.71 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine is sourced from PubChem (CID 161266396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).