ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate

C19H19Cl2N3O4 — CID 55630847

IUPACethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nc1C
InChIInChI=1S/C19H19Cl2N3O4/c1-4-28-19(27)12-8-9-15(22-11(12)2)18(26)24(3)10-16(25)23-17-13(20)6-5-7-14(17)21/h5-9H,4,10H2,1-3H3,(H,23,25)
InChIKeyIQWUCLLULIIFEU-UHFFFAOYSA-N
MW424.28 g/mol
LogP3.58
Rot. Bonds6

About ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55630847) has the molecular formula C19H19Cl2N3O4 and a molecular weight of 424.28 g/mol. Its IUPAC name is ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55630847
Molecular FormulaC19H19Cl2N3O4
Molecular Weight424.28 g/mol
Exact Mass423.08
IUPAC Nameethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nc1C
InChIInChI=1S/C19H19Cl2N3O4/c1-4-28-19(27)12-8-9-15(22-11(12)2)18(26)24(3)10-16(25)23-17-13(20)6-5-7-14(17)21/h5-9H,4,10H2,1-3H3,(H,23,25)
InChIKeyIQWUCLLULIIFEU-UHFFFAOYSA-N
XLogP3.58
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51146019
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831644
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9089491
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9426700
ethyl 3-chloro-2-(methylamino)benzoate
CID 23093512
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
ethyl 2-[[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 38510345
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2475163
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate (CID 55630847) is ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nc1C.
What is the InChIKey of ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is IQWUCLLULIIFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4/c1-4-28-19(27)12-8-9-15(22-11(12)2)18(26)24(3)10-16(25)23-17-13(20)6-5-7-14(17)21/h5-9H,4,10H2,1-3H3,(H,23,25).
What are the key properties of ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 424.28 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55630847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).