ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate

C12H16N2O3 — CID 151319204

IUPACethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C(N)=O)c(C)nc1C
InChIInChI=1S/C12H16N2O3/c1-4-17-11(15)6-9-5-10(12(13)16)8(3)14-7(9)2/h5H,4,6H2,1-3H3,(H2,13,16)
InChIKeyOGCFRBZBKIBGCU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.90
Rot. Bonds4

About ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate

ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate (PubChem CID 151319204) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate
PubChem CID151319204
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C(N)=O)c(C)nc1C
InChIInChI=1S/C12H16N2O3/c1-4-17-11(15)6-9-5-10(12(13)16)8(3)14-7(9)2/h5H,4,6H2,1-3H3,(H2,13,16)
InChIKeyOGCFRBZBKIBGCU-UHFFFAOYSA-N
XLogP0.90
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide
CID 150585781
ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133102899
ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134674085
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate
CID 13349595
ethyl 2-(8-methoxy-2-methylquinolin-3-yl)acetate
CID 171788302
5,6-dimethoxy-2-methylpyridine-3-carboxamide
CID 174786229
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90102182
ethyl 2-[6-chloro-3-(difluoromethyl)-2-methyl-4-pyridinyl]acetate
CID 134685552
ethyl 2-[3-iodo-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659970
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate (CID 151319204) is ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate is CCOC(=O)Cc1cc(C(N)=O)c(C)nc1C.
What is the InChIKey of ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate?
The InChIKey is OGCFRBZBKIBGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-17-11(15)6-9-5-10(12(13)16)8(3)14-7(9)2/h5H,4,6H2,1-3H3,(H2,13,16).
What are the key properties of ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate?
ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate has a molecular weight of 236.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate is sourced from PubChem (CID 151319204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).