ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate

C13H17ClN2O4 — CID 47437528

IUPACethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1nc(OCC)ccc1Cl
InChIInChI=1S/C13H17ClN2O4/c1-3-19-10-6-5-9(14)12(16-10)13(18)15-8-7-11(17)20-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyQSZYZJLKKSIWMQ-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.82
Rot. Bonds7

About ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate

ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate (PubChem CID 47437528) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate
PubChem CID47437528
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Nameethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1nc(OCC)ccc1Cl
InChIInChI=1S/C13H17ClN2O4/c1-3-19-10-6-5-9(14)12(16-10)13(18)15-8-7-11(17)20-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyQSZYZJLKKSIWMQ-UHFFFAOYSA-N
XLogP1.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate (CID 47437528) is ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1nc(OCC)ccc1Cl.
What is the InChIKey of ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate?
The InChIKey is QSZYZJLKKSIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-3-19-10-6-5-9(14)12(16-10)13(18)15-8-7-11(17)20-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,15,18).
What are the key properties of ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate?
ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate has a molecular weight of 300.74 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 47437528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).