N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide

C11H15FN2O2 — CID 115498047

IUPACN-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCOCCN(C)C(=O)c1cccc(F)n1
InChIInChI=1S/C11H15FN2O2/c1-3-16-8-7-14(2)11(15)9-5-4-6-10(12)13-9/h4-6H,3,7-8H2,1-2H3
InChIKeyOLJRGGHBZLCHRM-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.33
Rot. Bonds5

About N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide

N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 115498047) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID115498047
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCOCCN(C)C(=O)c1cccc(F)n1
InChIInChI=1S/C11H15FN2O2/c1-3-16-8-7-14(2)11(15)9-5-4-6-10(12)13-9/h4-6H,3,7-8H2,1-2H3
InChIKeyOLJRGGHBZLCHRM-UHFFFAOYSA-N
XLogP1.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
CID 115496358
ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
CID 115497697
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
CID 113384171
N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497103
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
6-[2-ethoxyethyl(methyl)amino]pyridine-2-carboxamide
CID 173079352
4-amino-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81074023
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
N-(2-ethoxyethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 81056077
N,N-bis(2-ethoxyethyl)-6-(methylamino)pyridine-2-carboxamide
CID 82941671

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide (CID 115498047) is N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide is CCOCCN(C)C(=O)c1cccc(F)n1.
What is the InChIKey of N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is OLJRGGHBZLCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-16-8-7-14(2)11(15)9-5-4-6-10(12)13-9/h4-6H,3,7-8H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide?
N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115498047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).