methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate

C11H12Cl2N2O3 — CID 55030990

IUPACmethyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O3/c1-15(4-3-9(16)18-2)11(17)7-5-8(12)10(13)14-6-7/h5-6H,3-4H2,1-2H3
InChIKeyPPJJGMPKUMIZAH-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.02
Rot. Bonds4

About methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate

methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate (PubChem CID 55030990) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
PubChem CID55030990
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Namemethyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O3/c1-15(4-3-9(16)18-2)11(17)7-5-8(12)10(13)14-6-7/h5-6H,3-4H2,1-2H3
InChIKeyPPJJGMPKUMIZAH-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

4-[(5,6-dichloropyridine-3-carbonyl)-methylamino]butanoic acid
CID 43240294
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
CID 63695366
methyl 3-[(3-chloro-4-methylbenzoyl)-methylamino]propanoate
CID 63195175
methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate
CID 63850703
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243474
methyl 3-[(4-chloro-3-methylbenzoyl)-methylamino]propanoate
CID 112699249
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 106993631
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate (CID 55030990) is methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate?
The InChIKey is PPJJGMPKUMIZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-15(4-3-9(16)18-2)11(17)7-5-8(12)10(13)14-6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate?
methyl 3-[(5,6-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-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 55030990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).