ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate

C11H13ClN2O4 — CID 47437536

IUPACethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O4/c1-2-18-9(15)3-4-13-10(16)7-5-8(12)11(17)14-6-7/h5-6H,2-4H2,1H3,(H,13,16)(H,14,17)
InChIKeyJFSNNKNGFNJMJU-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.71
Rot. Bonds5

About ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate

ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 47437536) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID47437536
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Nameethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O4/c1-2-18-9(15)3-4-13-10(16)7-5-8(12)11(17)14-6-7/h5-6H,2-4H2,1H3,(H,13,16)(H,14,17)
InChIKeyJFSNNKNGFNJMJU-UHFFFAOYSA-N
XLogP0.71
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 47437536) is ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is JFSNNKNGFNJMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-2-18-9(15)3-4-13-10(16)7-5-8(12)11(17)14-6-7/h5-6H,2-4H2,1H3,(H,13,16)(H,14,17).
What are the key properties of ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 272.69 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 47437536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).