ethyl 2-acetamido-6-methylpyridine-3-carboxylate

C11H14N2O3 — CID 12910047

IUPACethyl 2-acetamido-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C)nc1NC(C)=O
InChIInChI=1S/C11H14N2O3/c1-4-16-11(15)9-6-5-7(2)12-10(9)13-8(3)14/h5-6H,4H2,1-3H3,(H,12,13,14)
InChIKeyKPYVIXGLLLQXBY-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.53
Rot. Bonds3

About ethyl 2-acetamido-6-methylpyridine-3-carboxylate

ethyl 2-acetamido-6-methylpyridine-3-carboxylate (PubChem CID 12910047) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 2-acetamido-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-6-methylpyridine-3-carboxylate
PubChem CID12910047
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 2-acetamido-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C)nc1NC(C)=O
InChIInChI=1S/C11H14N2O3/c1-4-16-11(15)9-6-5-7(2)12-10(9)13-8(3)14/h5-6H,4H2,1-3H3,(H,12,13,14)
InChIKeyKPYVIXGLLLQXBY-UHFFFAOYSA-N
XLogP1.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate
CID 67273917
ethyl 2-formyl-6-methylpyridine-3-carboxylate
CID 112757143
ethyl 3-acetamido-1-methylpyrazole-4-carboxylate
CID 11572025
ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
CID 12887749
ethyl 4-acetamido-2-aminobenzoate
CID 19006952
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
N-(3-cyano-6-methyl-2-pyridinyl)acetamide
CID 130007246
ethyl 2-anilino-6-ethoxypyridine-3-carboxylate
CID 162752627
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-6-methylpyridine-3-carboxylate (CID 12910047) is ethyl 2-acetamido-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-6-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C)nc1NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-6-methylpyridine-3-carboxylate?
The InChIKey is KPYVIXGLLLQXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-4-16-11(15)9-6-5-7(2)12-10(9)13-8(3)14/h5-6H,4H2,1-3H3,(H,12,13,14).
What are the key properties of ethyl 2-acetamido-6-methylpyridine-3-carboxylate?
ethyl 2-acetamido-6-methylpyridine-3-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 12910047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).