ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate

C16H20N2O3S — CID 174658256

IUPACethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N(C)C)N(CC(=O)c2cccs2)C=CC1
InChIInChI=1S/C16H20N2O3S/c1-4-21-16(20)12-7-5-9-18(15(12)17(2)3)11-13(19)14-8-6-10-22-14/h5-6,8-10H,4,7,11H2,1-3H3
InChIKeyYGSAUFQGSIADCE-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.49
Rot. Bonds6

About ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate

ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate (PubChem CID 174658256) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate
PubChem CID174658256
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Nameethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N(C)C)N(CC(=O)c2cccs2)C=CC1
InChIInChI=1S/C16H20N2O3S/c1-4-21-16(20)12-7-5-9-18(15(12)17(2)3)11-13(19)14-8-6-10-22-14/h5-6,8-10H,4,7,11H2,1-3H3
InChIKeyYGSAUFQGSIADCE-UHFFFAOYSA-N
XLogP2.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
ethoxycarbonyl thiophene-2-carboxylate
CID 174341165
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
1-thiophen-2-ylpropan-1-one
CID 26179
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
CID 91197707
ethyl 2-oxo-6-[(4-oxo-4-thiophen-2-ylbutanoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27919236
ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
CID 90711977
ethyl thiophene-2-carboxylate;2-phenylthiophene
CID 173392308
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 114679282
ethyl 6-methyl-2-thiophen-2-yl-4H-pyran-3-carboxylate
CID 141394184

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate (CID 174658256) is ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate is CCOC(=O)C1=C(N(C)C)N(CC(=O)c2cccs2)C=CC1.
What is the InChIKey of ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate?
The InChIKey is YGSAUFQGSIADCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-21-16(20)12-7-5-9-18(15(12)17(2)3)11-13(19)14-8-6-10-22-14/h5-6,8-10H,4,7,11H2,1-3H3.
What are the key properties of ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate?
ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate is sourced from PubChem (CID 174658256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).