[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate

C17H16N2O6 — CID 9452060

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC)nc1
InChIInChI=1S/C17H16N2O6/c1-23-15-8-7-11(9-18-15)16(21)25-10-14(20)19-13-6-4-3-5-12(13)17(22)24-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyITMOXTGAKPAPJW-UHFFFAOYSA-N
MW344.32 g/mol
LogP1.67
Rot. Bonds6

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate (PubChem CID 9452060) has the molecular formula C17H16N2O6 and a molecular weight of 344.32 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
PubChem CID9452060
Molecular FormulaC17H16N2O6
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC)nc1
InChIInChI=1S/C17H16N2O6/c1-23-15-8-7-11(9-18-15)16(21)25-10-14(20)19-13-6-4-3-5-12(13)17(22)24-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyITMOXTGAKPAPJW-UHFFFAOYSA-N
XLogP1.67
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
CID 2668483
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
CID 23943561
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18286834
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 7650552
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate (CID 9452060) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate is COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC)nc1.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The InChIKey is ITMOXTGAKPAPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6/c1-23-15-8-7-11(9-18-15)16(21)25-10-14(20)19-13-6-4-3-5-12(13)17(22)24-2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate has a molecular weight of 344.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 9452060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).