lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate

C13H11LiN2O2 — CID 178157804

IUPAClithium 3-[(4-methyl-2-pyridinyl)amino]benzoate
SMILESCc1ccnc(Nc2cccc(C(=O)[O-])c2)c1.[Li+]
InChIInChI=1S/C13H12N2O2.Li/c1-9-5-6-14-12(7-9)15-11-4-2-3-10(8-11)13(16)17;/h2-8H,1H3,(H,14,15)(H,16,17);/q;+1/p-1
InChIKeyGHAYIZFEYPIPJR-UHFFFAOYSA-M
MW234.18 g/mol
LogP-1.50
Rot. Bonds3

About lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate

lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate (PubChem CID 178157804) has the molecular formula C13H11LiN2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate.

Molecular Properties

Compound Namelithium 3-[(4-methyl-2-pyridinyl)amino]benzoate
PubChem CID178157804
Molecular FormulaC13H11LiN2O2
Molecular Weight234.18 g/mol
Exact Mass234.10
IUPAC Namelithium 3-[(4-methyl-2-pyridinyl)amino]benzoate
SMILESCc1ccnc(Nc2cccc(C(=O)[O-])c2)c1.[Li+]
InChIInChI=1S/C13H12N2O2.Li/c1-9-5-6-14-12(7-9)15-11-4-2-3-10(8-11)13(16)17;/h2-8H,1H3,(H,14,15)(H,16,17);/q;+1/p-1
InChIKeyGHAYIZFEYPIPJR-UHFFFAOYSA-M
XLogP-1.50
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate
CID 139078058
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
methyl 3-[[4-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109176715
gallium tris(3-methylbenzoate)
CID 22604030
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
3-[(4-methyl-2-pyridinyl)sulfamoyl]-N-phenylbenzamide
CID 27187007
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712

Frequently Asked Questions

What is the IUPAC name of lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate?
The IUPAC name of lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate (CID 178157804) is lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate.
What is the SMILES notation for lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate?
The canonical SMILES for lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate is Cc1ccnc(Nc2cccc(C(=O)[O-])c2)c1.[Li+].
What is the InChIKey of lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate?
The InChIKey is GHAYIZFEYPIPJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N2O2.Li/c1-9-5-6-14-12(7-9)15-11-4-2-3-10(8-11)13(16)17;/h2-8H,1H3,(H,14,15)(H,16,17);/q;+1/p-1.
What are the key properties of lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate?
lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate has a molecular weight of 234.18 g/mol, XLogP of -1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate is sourced from PubChem (CID 178157804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).