methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate

C11H13ClN2O3 — CID 55031186

IUPACmethyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O3/c1-14(6-5-10(15)17-2)11(16)8-3-4-9(12)13-7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyWKJJVKJXZZGOFR-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.37
Rot. Bonds4

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

methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate (PubChem CID 55031186) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
PubChem CID55031186
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O3/c1-14(6-5-10(15)17-2)11(16)8-3-4-9(12)13-7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyWKJJVKJXZZGOFR-UHFFFAOYSA-N
XLogP1.37
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.37
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

6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 55030990
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 106993631
methyl 3-[(3-chloro-4-methylbenzoyl)-methylamino]propanoate
CID 63195175
methyl 3-[(4-chloro-3-methylbenzoyl)-methylamino]propanoate
CID 112699249
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate
CID 61030580
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
methyl 3-[(5-carbamothioylpyridine-2-carbonyl)-methylamino]propanoate
CID 63749737
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate (CID 55031186) is methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate?
The InChIKey is WKJJVKJXZZGOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-14(6-5-10(15)17-2)11(16)8-3-4-9(12)13-7-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate?
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate has a molecular weight of 256.69 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 55031186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).