N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide

C14H16N2O3S — CID 71782355

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(C)(O)c2cccs2)c1=O
InChIInChI=1S/C14H16N2O3S/c1-14(19,11-6-4-8-20-11)9-15-12(17)10-5-3-7-16(2)13(10)18/h3-8,19H,9H2,1-2H3,(H,15,17)
InChIKeyQSEDQYFQXJLASO-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.08
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71782355) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71782355
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(C)(O)c2cccs2)c1=O
InChIInChI=1S/C14H16N2O3S/c1-14(19,11-6-4-8-20-11)9-15-12(17)10-5-3-7-16(2)13(10)18/h3-8,19H,9H2,1-2H3,(H,15,17)
InChIKeyQSEDQYFQXJLASO-UHFFFAOYSA-N
XLogP1.08
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide (CID 71782355) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCC(C)(O)c2cccs2)c1=O.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is QSEDQYFQXJLASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-14(19,11-6-4-8-20-11)9-15-12(17)10-5-3-7-16(2)13(10)18/h3-8,19H,9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71782355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).