5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C21H15FN2OS — CID 46154523

IUPAC5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(-c2cc3ccccc3s2)c1
InChIInChI=1S/C21H15FN2OS/c22-18-7-5-14(6-8-18)11-24-21(25)17-9-16(12-23-13-17)20-10-15-3-1-2-4-19(15)26-20/h1-10,12-13H,11H2,(H,24,25)
InChIKeyGGIGYFCOBGEXOZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.03
Rot. Bonds4

About 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 46154523) has the molecular formula C21H15FN2OS and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID46154523
Molecular FormulaC21H15FN2OS
Molecular Weight362.43 g/mol
Exact Mass362.09
IUPAC Name5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(-c2cc3ccccc3s2)c1
InChIInChI=1S/C21H15FN2OS/c22-18-7-5-14(6-8-18)11-24-21(25)17-9-16(12-23-13-17)20-10-15-3-1-2-4-19(15)26-20/h1-10,12-13H,11H2,(H,24,25)
InChIKeyGGIGYFCOBGEXOZ-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 46032155
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232883
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105648
5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 46154523) is 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cncc(-c2cc3ccccc3s2)c1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GGIGYFCOBGEXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2OS/c22-18-7-5-14(6-8-18)11-24-21(25)17-9-16(12-23-13-17)20-10-15-3-1-2-4-19(15)26-20/h1-10,12-13H,11H2,(H,24,25).
What are the key properties of 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46154523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).