N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide

C18H18N2O2S — CID 111784598

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(CO)Cc1ccccn1)c1cc2ccccc2s1
InChIInChI=1S/C18H18N2O2S/c21-12-13(9-15-6-3-4-8-19-15)11-20-18(22)17-10-14-5-1-2-7-16(14)23-17/h1-8,10,13,21H,9,11-12H2,(H,20,22)
InChIKeyKCDMTQOIVSZAFU-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide (PubChem CID 111784598) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
PubChem CID111784598
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(CO)Cc1ccccn1)c1cc2ccccc2s1
InChIInChI=1S/C18H18N2O2S/c21-12-13(9-15-6-3-4-8-19-15)11-20-18(22)17-10-14-5-1-2-7-16(14)23-17/h1-8,10,13,21H,9,11-12H2,(H,20,22)
InChIKeyKCDMTQOIVSZAFU-UHFFFAOYSA-N
XLogP2.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide
CID 111784445
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone
CID 61407072
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99814320
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide (CID 111784598) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide is O=C(NCC(CO)Cc1ccccn1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide?
The InChIKey is KCDMTQOIVSZAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-12-13(9-15-6-3-4-8-19-15)11-20-18(22)17-10-14-5-1-2-7-16(14)23-17/h1-8,10,13,21H,9,11-12H2,(H,20,22).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 111784598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).