ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate

C12H15ClN2O3 — CID 62239281

IUPACethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-8-15(2)12(17)9-5-4-6-10(13)14-9/h4-6H,3,7-8H2,1-2H3
InChIKeySMCFNNICYALWJW-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.76
Rot. Bonds5

About ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate

ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate (PubChem CID 62239281) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate
PubChem CID62239281
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Nameethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-8-15(2)12(17)9-5-4-6-10(13)14-9/h4-6H,3,7-8H2,1-2H3
InChIKeySMCFNNICYALWJW-UHFFFAOYSA-N
XLogP1.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]propanoate
CID 79035694
ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
CID 80642376
ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate
CID 104917099
ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
CID 115497697
ethyl 3-[(5-cyanopyridine-2-carbonyl)-methylamino]propanoate
CID 63717533
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
ethyl 3-[methyl-(2-pyrimidin-2-ylsulfanyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 126839249
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate
CID 103055315
ethyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]propanoate
CID 66462957
6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
CID 55052208
N-(2-aminoethyl)-N,6-dimethylpyridine-2-carboxamide
CID 61348528

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate (CID 62239281) is ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)c1cccc(Cl)n1.
What is the InChIKey of ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate?
The InChIKey is SMCFNNICYALWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-8-15(2)12(17)9-5-4-6-10(13)14-9/h4-6H,3,7-8H2,1-2H3.
What are the key properties of ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate?
ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate has a molecular weight of 270.72 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 62239281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).