ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate

C11H13ClN2O3 — CID 47368209

IUPACethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-3-17-11(16)7(2)14-10(15)8-4-5-13-9(12)6-8/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyVJEYXNHCWVGNCG-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.42
Rot. Bonds4

About ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate

ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate (PubChem CID 47368209) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
PubChem CID47368209
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Nameethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-3-17-11(16)7(2)14-10(15)8-4-5-13-9(12)6-8/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyVJEYXNHCWVGNCG-UHFFFAOYSA-N
XLogP1.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
CID 103925925
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
ethyl 2-[(3-chloro-4-nitrobenzoyl)amino]propanoate
CID 82781155

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate (CID 47368209) is ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate?
The InChIKey is VJEYXNHCWVGNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-3-17-11(16)7(2)14-10(15)8-4-5-13-9(12)6-8/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate?
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate has a molecular weight of 256.69 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 47368209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).