5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

C17H13FN2OS — CID 32977659

IUPAC5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H13FN2OS/c18-13-6-4-12(5-7-13)15-8-9-16(22-15)17(21)20-11-14-3-1-2-10-19-14/h1-10H,11H2,(H,20,21)
InChIKeyPBYAEMLEVKSJLS-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.88
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 32977659) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID32977659
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H13FN2OS/c18-13-6-4-12(5-7-13)15-8-9-16(22-15)17(21)20-11-14-3-1-2-10-19-14/h1-10H,11H2,(H,20,21)
InChIKeyPBYAEMLEVKSJLS-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-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

5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 35008485
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 16675997
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783841
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 46580563
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 42673825

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 32977659) is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccccn1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is PBYAEMLEVKSJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-13-6-4-12(5-7-13)15-8-9-16(22-15)17(21)20-11-14-3-1-2-10-19-14/h1-10H,11H2,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 32977659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).