methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate

C13H16Cl2N2O4 — CID 78959056

IUPACmethyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O4/c1-20-6-5-17(4-3-12(18)21-2)13(19)9-7-10(14)16-11(15)8-9/h7-8H,3-6H2,1-2H3
InChIKeyBBTUVDLIWSUPPO-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.04
Rot. Bonds7

About methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 78959056) has the molecular formula C13H16Cl2N2O4 and a molecular weight of 335.19 g/mol. Its IUPAC name is methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
PubChem CID78959056
Molecular FormulaC13H16Cl2N2O4
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC Namemethyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O4/c1-20-6-5-17(4-3-12(18)21-2)13(19)9-7-10(14)16-11(15)8-9/h7-8H,3-6H2,1-2H3
InChIKeyBBTUVDLIWSUPPO-UHFFFAOYSA-N
XLogP2.04
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
methyl 3-[(3-amino-5-bromobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532935
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79078825
methyl 3-[(2-bromo-4-chlorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103765245
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate (CID 78959056) is methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is BBTUVDLIWSUPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O4/c1-20-6-5-17(4-3-12(18)21-2)13(19)9-7-10(14)16-11(15)8-9/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 335.19 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).