lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate

C32H35LiN6O5 — CID 157274956

IUPAClithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate
SMILESCCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ccccn1.O=C(c1ccccn1)c1cccnc1C(=O)[O-].[Li+]
InChIInChI=1S/C12H8N2O3.2C10H14N2O.Li/c15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;2*1-3-12(4-2)10(13)9-7-5-6-8-11-9;/h1-7H,(H,16,17);2*5-8H,3-4H2,1-2H3;/q;;;+1/p-1
InChIKeyUUNRHLLSGDCHJE-UHFFFAOYSA-M
MW590.61 g/mol
LogP0.20
Rot. Bonds9

About lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate

lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate (PubChem CID 157274956) has the molecular formula C32H35LiN6O5 and a molecular weight of 590.61 g/mol. Its IUPAC name is lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namelithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate
PubChem CID157274956
Molecular FormulaC32H35LiN6O5
Molecular Weight590.61 g/mol
Exact Mass590.28
IUPAC Namelithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate
SMILESCCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ccccn1.O=C(c1ccccn1)c1cccnc1C(=O)[O-].[Li+]
InChIInChI=1S/C12H8N2O3.2C10H14N2O.Li/c15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;2*1-3-12(4-2)10(13)9-7-5-6-8-11-9;/h1-7H,(H,16,17);2*5-8H,3-4H2,1-2H3;/q;;;+1/p-1
InChIKeyUUNRHLLSGDCHJE-UHFFFAOYSA-M
XLogP0.20
TPSA149.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.61
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
CID 56684304
Ruthenium(II) bipyridinate
CID 129814893
Palladium(II) 2,2'-bipyridinate
CID 129864354
Bis(6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylate);lead(2+)
CID 139060823
Methyl 6-(5-methoxycarbonyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate
CID 168331329
4'-(2-Carboxypyridin-4-yl)-[2,2':6',2''-terpyridin]-6,6''-dicarboxylic acid
CID 176514695
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;ruthenium(2+);tetrabutylazanium;diisothiocyanate
CID 170853112
Methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate
CID 10814689
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid
CID 17856698
Bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);ruthenium(4+)
CID 17861483

Frequently Asked Questions

What is the IUPAC name of lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate?
The IUPAC name of lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate (CID 157274956) is lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate is CCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ccccn1.O=C(c1ccccn1)c1cccnc1C(=O)[O-].[Li+].
What is the InChIKey of lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate?
The InChIKey is UUNRHLLSGDCHJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8N2O3.2C10H14N2O.Li/c15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;2*1-3-12(4-2)10(13)9-7-5-6-8-11-9;/h1-7H,(H,16,17);2*5-8H,3-4H2,1-2H3;/q;;;+1/p-1.
What are the key properties of lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate?
lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate has a molecular weight of 590.61 g/mol, XLogP of 0.20, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 157274956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).