N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide

C11H16N2O2 — CID 123301076

IUPACN-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1cnc(C)cc1C
InChIInChI=1S/C11H16N2O2/c1-8-6-9(2)13-7-10(8)11(14)12-4-5-15-3/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyYAPDJSLOMWWACS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.07
Rot. Bonds4

About N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide

N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 123301076) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID123301076
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1cnc(C)cc1C
InChIInChI=1S/C11H16N2O2/c1-8-6-9(2)13-7-10(8)11(14)12-4-5-15-3/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyYAPDJSLOMWWACS-UHFFFAOYSA-N
XLogP1.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide (CID 123301076) is N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide is COCCNC(=O)c1cnc(C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is YAPDJSLOMWWACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-6-9(2)13-7-10(8)11(14)12-4-5-15-3/h6-7H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide?
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 123301076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).