methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate

C11H12Cl2N2O3 — CID 106993631

IUPACmethyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-15(6-5-9(16)18-2)11(17)7-3-4-8(12)14-10(7)13/h3-4H,5-6H2,1-2H3
InChIKeyQBALIPLXKACEFI-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.02
Rot. Bonds4

About methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate

methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate (PubChem CID 106993631) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
PubChem CID106993631
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Namemethyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-15(6-5-9(16)18-2)11(17)7-3-4-8(12)14-10(7)13/h3-4H,5-6H2,1-2H3
InChIKeyQBALIPLXKACEFI-UHFFFAOYSA-N
XLogP2.02
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.02
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

methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
methyl 3-[(5-chloro-2-methylbenzoyl)-methylamino]propanoate
CID 113329866
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
methyl 3-[(2,3-difluoropyridine-4-carbonyl)-methylamino]propanoate
CID 105381063
methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 55030990
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 113227301
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
methyl 3-[(5-amino-2,3-dichlorobenzoyl)-methylamino]propanoate
CID 107184847
methyl 4-[(4-chloro-2-methylbenzoyl)-methylamino]butanoate
CID 103777319
methyl 4-[(4-amino-2-chlorobenzoyl)-methylamino]butanoate
CID 61109630
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate (CID 106993631) is methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate?
The InChIKey is QBALIPLXKACEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-15(6-5-9(16)18-2)11(17)7-3-4-8(12)14-10(7)13/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate?
methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate has a molecular weight of 291.13 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 106993631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).