5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C17H18N2O5S — CID 136511469

IUPAC5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1ccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)s1
InChIInChI=1S/C17H18N2O5S/c1-10-9-13(21)15(17(23)19-10)12(20)5-3-11-4-6-14(25-11)16(22)18-7-8-24-2/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H2,19,21,23)/b5-3+
InChIKeyBXJGUKUJYVTQRG-HWKANZROSA-N
MW362.41 g/mol
LogP1.72
Rot. Bonds7

About 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 136511469) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID136511469
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1ccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)s1
InChIInChI=1S/C17H18N2O5S/c1-10-9-13(21)15(17(23)19-10)12(20)5-3-11-4-6-14(25-11)16(22)18-7-8-24-2/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H2,19,21,23)/b5-3+
InChIKeyBXJGUKUJYVTQRG-HWKANZROSA-N
XLogP1.72
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 136511469) is 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCNC(=O)c1ccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)s1.
What is the InChIKey of 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is BXJGUKUJYVTQRG-HWKANZROSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-10-9-13(21)15(17(23)19-10)12(20)5-3-11-4-6-14(25-11)16(22)18-7-8-24-2/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H2,19,21,23)/b5-3+.
What are the key properties of 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 136511469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).