N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide

C17H16N2O3S — CID 91630819

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(O)c2csc3ccccc23)c1=O
InChIInChI=1S/C17H16N2O3S/c1-19-8-4-6-12(17(19)22)16(21)18-9-14(20)13-10-23-15-7-3-2-5-11(13)15/h2-8,10,14,20H,9H2,1H3,(H,18,21)
InChIKeyUTPCGLNXEOWOPY-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 91630819) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID91630819
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(O)c2csc3ccccc23)c1=O
InChIInChI=1S/C17H16N2O3S/c1-19-8-4-6-12(17(19)22)16(21)18-9-14(20)13-10-23-15-7-3-2-5-11(13)15/h2-8,10,14,20H,9H2,1H3,(H,18,21)
InChIKeyUTPCGLNXEOWOPY-UHFFFAOYSA-N
XLogP2.06
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71971006
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-thenamide
CID 100724347
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71803786
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 86263944
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2-(cyclopentylthio)acetamide
CID 91630824
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2-(methylthio)benzamide
CID 91630830
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)cyclohex-3-enecarboxamide
CID 91630853
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl](benzylthio)acetamide
CID 99980026
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]3-(phenylthio)propionamide
CID 99980040
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl](2,5-dioxo-1-pyrrolidinyl)acetamide
CID 100724436
(R)-1-(1-benzothiophen-3-yl)-2-[3-(2-methoxyethyl)ureido]-1-ethanol
CID 100726939
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-3-(2-fluorophenyl)propanamide
CID 91630861

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 91630819) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCC(O)c2csc3ccccc23)c1=O.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is UTPCGLNXEOWOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-19-8-4-6-12(17(19)22)16(21)18-9-14(20)13-10-23-15-7-3-2-5-11(13)15/h2-8,10,14,20H,9H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91630819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).