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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Related Compounds

CID 60811915
CID 60811915
CID 61502010
CID 61502010
CID 12852684
CID 12852684
CID 47257317
CID 47257317
CID 57075702
CID 57075702
CID 57861619
CID 57861619
CID 57861646
CID 57861646
CID 67520056
CID 67520056
CID 67520241
CID 67520241
CID 69475722
CID 69475722
CID 118585728
CID 118585728
CID 141447217
CID 141447217

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).