ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate

C12H16N2O4 — CID 60817242

IUPACethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C12H16N2O4/c1-4-18-9(15)6-13-11(16)10-7(2)5-8(3)14-12(10)17/h5H,4,6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyKZTGCUYIFSYVPD-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.28
Rot. Bonds4

About ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate

ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate (PubChem CID 60817242) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
PubChem CID60817242
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C12H16N2O4/c1-4-18-9(15)6-13-11(16)10-7(2)5-8(3)14-12(10)17/h5H,4,6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyKZTGCUYIFSYVPD-UHFFFAOYSA-N
XLogP0.28
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate (CID 60817242) is ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The InChIKey is KZTGCUYIFSYVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-4-18-9(15)6-13-11(16)10-7(2)5-8(3)14-12(10)17/h5H,4,6H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate has a molecular weight of 252.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 60817242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).