ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate

C19H22N2O4 — CID 756086

IUPACethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc(C)c2C(=O)OCC)cc1
InChIInChI=1S/C19H22N2O4/c1-5-24-18(22)14-7-9-15(10-8-14)21-16-11-12(3)20-13(4)17(16)19(23)25-6-2/h7-11H,5-6H2,1-4H3,(H,20,21)
InChIKeyLUCUEMZQNUGLQG-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.80
Rot. Bonds6

About ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate

ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 756086) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate
PubChem CID756086
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc(C)c2C(=O)OCC)cc1
InChIInChI=1S/C19H22N2O4/c1-5-24-18(22)14-7-9-15(10-8-14)21-16-11-12(3)20-13(4)17(16)19(23)25-6-2/h7-11H,5-6H2,1-4H3,(H,20,21)
InChIKeyLUCUEMZQNUGLQG-UHFFFAOYSA-N
XLogP3.80
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate (CID 756086) is ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1ccc(Nc2cc(C)nc(C)c2C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is LUCUEMZQNUGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-5-24-18(22)14-7-9-15(10-8-14)21-16-11-12(3)20-13(4)17(16)19(23)25-6-2/h7-11H,5-6H2,1-4H3,(H,20,21).
What are the key properties of ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate?
ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 756086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).