6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide

C17H23N3O3S — CID 126464984

IUPAC6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
SMILESCCN(CCO)Cc1ccc(C(=O)NC(C)c2cccs2)c(=O)[nH]1
InChIInChI=1S/C17H23N3O3S/c1-3-20(8-9-21)11-13-6-7-14(17(23)19-13)16(22)18-12(2)15-5-4-10-24-15/h4-7,10,12,21H,3,8-9,11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyDDARQMPHXSKOIP-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.74
Rot. Bonds8

About 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide

6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide (PubChem CID 126464984) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
PubChem CID126464984
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
SMILESCCN(CCO)Cc1ccc(C(=O)NC(C)c2cccs2)c(=O)[nH]1
InChIInChI=1S/C17H23N3O3S/c1-3-20(8-9-21)11-13-6-7-14(17(23)19-13)16(22)18-12(2)15-5-4-10-24-15/h4-7,10,12,21H,3,8-9,11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyDDARQMPHXSKOIP-UHFFFAOYSA-N
XLogP1.74
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide (CID 126464984) is 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide is CCN(CCO)Cc1ccc(C(=O)NC(C)c2cccs2)c(=O)[nH]1.
What is the InChIKey of 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DDARQMPHXSKOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-20(8-9-21)11-13-6-7-14(17(23)19-13)16(22)18-12(2)15-5-4-10-24-15/h4-7,10,12,21H,3,8-9,11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(2-hydroxyethyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126464984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).