N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide

C15H12N2OS — CID 1247032

IUPACN-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
SMILESO=C(NCc1ccccn1)c1csc2ccccc12
InChIInChI=1S/C15H12N2OS/c18-15(17-9-11-5-3-4-8-16-11)13-10-19-14-7-2-1-6-12(13)14/h1-8,10H,9H2,(H,17,18)
InChIKeyCUADOHYFLRTSKW-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.23
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide

N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide (PubChem CID 1247032) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
PubChem CID1247032
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
SMILESO=C(NCc1ccccn1)c1csc2ccccc12
InChIInChI=1S/C15H12N2OS/c18-15(17-9-11-5-3-4-8-16-11)13-10-19-14-7-2-1-6-12(13)14/h1-8,10H,9H2,(H,17,18)
InChIKeyCUADOHYFLRTSKW-UHFFFAOYSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 17173127
N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
CID 25343199
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
CID 25343168
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide (CID 1247032) is N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide is O=C(NCc1ccccn1)c1csc2ccccc12.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide?
The InChIKey is CUADOHYFLRTSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-15(17-9-11-5-3-4-8-16-11)13-10-19-14-7-2-1-6-12(13)14/h1-8,10H,9H2,(H,17,18).
What are the key properties of N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide?
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1247032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).