dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate

C11H14Li2N2O — CID 134839602

IUPACdilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate
SMILESCC(C)(C)/C([O-])=N/Cc1[c-]ccnc1.[Li+].[Li+]
InChIInChI=1S/C11H15N2O.2Li/c1-11(2,3)10(14)13-8-9-5-4-6-12-7-9;;/h4,6-7H,8H2,1-3H3,(H,13,14);;/q-1;2*+1/p-1
InChIKeyUEZZHBUBESNGDL-UHFFFAOYSA-M
MW204.13 g/mol
LogP-4.81
Rot. Bonds2

About dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate

dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate (PubChem CID 134839602) has the molecular formula C11H14Li2N2O and a molecular weight of 204.13 g/mol. Its IUPAC name is dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate.

Molecular Properties

Compound Namedilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate
PubChem CID134839602
Molecular FormulaC11H14Li2N2O
Molecular Weight204.13 g/mol
Exact Mass204.14
IUPAC Namedilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate
SMILESCC(C)(C)/C([O-])=N/Cc1[c-]ccnc1.[Li+].[Li+]
InChIInChI=1S/C11H15N2O.2Li/c1-11(2,3)10(14)13-8-9-5-4-6-12-7-9;;/h4,6-7H,8H2,1-3H3,(H,13,14);;/q-1;2*+1/p-1
InChIKeyUEZZHBUBESNGDL-UHFFFAOYSA-M
XLogP-4.81
TPSA48.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-4.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4H-pyridin-4-ide;rubidium(1+)
CID 176952431
3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol
CID 115401177
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
3-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 58365241
4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
CID 6932609
3,3-dimethyl-1-pyridin-3-ylsulfonylbutan-2-one
CID 58129199
2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid
CID 115008844
N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
CID 114957609
zinc;3-bromo-4H-pyridin-4-ide;chloride
CID 87599037
lithium;zinc;tris(2,2-dimethylpropanoate);pyridine
CID 139143810
4,4-dimethyl-1-pyrimidin-4-ylpentan-3-one
CID 158821572
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296

Frequently Asked Questions

What is the IUPAC name of dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate?
The IUPAC name of dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate (CID 134839602) is dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate.
What is the SMILES notation for dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate?
The canonical SMILES for dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate is CC(C)(C)/C([O-])=N/Cc1[c-]ccnc1.[Li+].[Li+].
What is the InChIKey of dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate?
The InChIKey is UEZZHBUBESNGDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N2O.2Li/c1-11(2,3)10(14)13-8-9-5-4-6-12-7-9;;/h4,6-7H,8H2,1-3H3,(H,13,14);;/q-1;2*+1/p-1.
What are the key properties of dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate?
dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate has a molecular weight of 204.13 g/mol, XLogP of -4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2,2-dimethyl-N-(4H-pyridin-4-id-3-ylmethyl)propanimidate is sourced from PubChem (CID 134839602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).