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

C19H23ClN2O4 — CID 2868863

IUPACethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc(C)c2C(=O)OCC)cc1.Cl
InChIInChI=1S/C19H22N2O4.ClH/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);1H
InChIKeyOFQIUFMRXJYDJC-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.22
Rot. Bonds6

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

ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride (PubChem CID 2868863) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride
PubChem CID2868863
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Nameethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc(C)c2C(=O)OCC)cc1.Cl
InChIInChI=1S/C19H22N2O4.ClH/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);1H
InChIKeyOFQIUFMRXJYDJC-UHFFFAOYSA-N
XLogP4.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.22
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;hydrochloride?
The IUPAC name of ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride (CID 2868863) is ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride is CCOC(=O)c1ccc(Nc2cc(C)nc(C)c2C(=O)OCC)cc1.Cl.
What is the InChIKey of ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride?
The InChIKey is OFQIUFMRXJYDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.ClH/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);1H.
What are the key properties of ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride?
ethyl 4-(4-ethoxycarbonylanilino)-2,6-dimethylpyridine-3-carboxylate;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 4.22, 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;hydrochloride is sourced from PubChem (CID 2868863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).