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

C16H21N3O3S — CID 45197480

IUPAC6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(CN(C)CCO)[nH]c1=O)c1cccs1
InChIInChI=1S/C16H21N3O3S/c1-11(14-4-3-9-23-14)17-15(21)13-6-5-12(18-16(13)22)10-19(2)7-8-20/h3-6,9,11,20H,7-8,10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyYEEYSGGIPVQEDI-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.35
Rot. Bonds7

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

6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide (PubChem CID 45197480) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
PubChem CID45197480
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(CN(C)CCO)[nH]c1=O)c1cccs1
InChIInChI=1S/C16H21N3O3S/c1-11(14-4-3-9-23-14)17-15(21)13-6-5-12(18-16(13)22)10-19(2)7-8-20/h3-6,9,11,20H,7-8,10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyYEEYSGGIPVQEDI-UHFFFAOYSA-N
XLogP1.35
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide (CID 45197480) is 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(CN(C)CCO)[nH]c1=O)c1cccs1.
What is the InChIKey of 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YEEYSGGIPVQEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11(14-4-3-9-23-14)17-15(21)13-6-5-12(18-16(13)22)10-19(2)7-8-20/h3-6,9,11,20H,7-8,10H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxyethyl(methyl)amino]methyl]-2-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45197480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).