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

C16H14N2OS — CID 47112744

IUPACN-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H14N2OS/c1-18(11-12-5-4-8-17-10-12)16(19)15-9-13-6-2-3-7-14(13)20-15/h2-10H,11H2,1H3
InChIKeyXIENAFXWZFZKDE-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.57
Rot. Bonds3

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

N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 47112744) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID47112744
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H14N2OS/c1-18(11-12-5-4-8-17-10-12)16(19)15-9-13-6-2-3-7-14(13)20-15/h2-10H,11H2,1H3
InChIKeyXIENAFXWZFZKDE-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
N-[(4-cyanophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 39859920
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 78771008
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
5-bromo-N-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 86980541
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 47112744) is N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide is CN(Cc1cccnc1)C(=O)c1cc2ccccc2s1.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XIENAFXWZFZKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-18(11-12-5-4-8-17-10-12)16(19)15-9-13-6-2-3-7-14(13)20-15/h2-10H,11H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 47112744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).