ethyl 6-(diethoxymethyl)pyridine-2-carboximidate

C13H20N2O3 — CID 10354852

IUPACethyl 6-(diethoxymethyl)pyridine-2-carboximidate
SMILES[H]/N=C(\OCC)c1cccc(C(OCC)OCC)n1
InChIInChI=1S/C13H20N2O3/c1-4-16-12(14)10-8-7-9-11(15-10)13(17-5-2)18-6-3/h7-9,13-14H,4-6H2,1-3H3/b14-12-
InChIKeyCAVAMOVPTADPMM-OWBHPGMISA-N
MW252.31 g/mol
LogP2.52
Rot. Bonds7

About ethyl 6-(diethoxymethyl)pyridine-2-carboximidate

ethyl 6-(diethoxymethyl)pyridine-2-carboximidate (PubChem CID 10354852) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 6-(diethoxymethyl)pyridine-2-carboximidate.

Molecular Properties

Compound Nameethyl 6-(diethoxymethyl)pyridine-2-carboximidate
PubChem CID10354852
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 6-(diethoxymethyl)pyridine-2-carboximidate
SMILES[H]/N=C(\OCC)c1cccc(C(OCC)OCC)n1
InChIInChI=1S/C13H20N2O3/c1-4-16-12(14)10-8-7-9-11(15-10)13(17-5-2)18-6-3/h7-9,13-14H,4-6H2,1-3H3/b14-12-
InChIKeyCAVAMOVPTADPMM-OWBHPGMISA-N
XLogP2.52
TPSA64.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 6-(diethoxymethyl)pyridine-2-carboximidate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(diethoxymethyl)pyridine-2-carboximidate?
The IUPAC name of ethyl 6-(diethoxymethyl)pyridine-2-carboximidate (CID 10354852) is ethyl 6-(diethoxymethyl)pyridine-2-carboximidate.
What is the SMILES notation for ethyl 6-(diethoxymethyl)pyridine-2-carboximidate?
The canonical SMILES for ethyl 6-(diethoxymethyl)pyridine-2-carboximidate is [H]/N=C(\OCC)c1cccc(C(OCC)OCC)n1.
What is the InChIKey of ethyl 6-(diethoxymethyl)pyridine-2-carboximidate?
The InChIKey is CAVAMOVPTADPMM-OWBHPGMISA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-16-12(14)10-8-7-9-11(15-10)13(17-5-2)18-6-3/h7-9,13-14H,4-6H2,1-3H3/b14-12-.
What are the key properties of ethyl 6-(diethoxymethyl)pyridine-2-carboximidate?
ethyl 6-(diethoxymethyl)pyridine-2-carboximidate has a molecular weight of 252.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(diethoxymethyl)pyridine-2-carboximidate is sourced from PubChem (CID 10354852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).