N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide

C17H13FN2OS — CID 53036787

IUPACN-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(-c2ccsc2)c1
InChIInChI=1S/C17H13FN2OS/c18-15-4-2-1-3-13(15)10-20-17(21)12-5-7-19-16(9-12)14-6-8-22-11-14/h1-9,11H,10H2,(H,20,21)
InChIKeyLWETZXMKRXHBKO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.88
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide

N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide (PubChem CID 53036787) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
PubChem CID53036787
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC NameN-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(-c2ccsc2)c1
InChIInChI=1S/C17H13FN2OS/c18-15-4-2-1-3-13(15)10-20-17(21)12-5-7-19-16(9-12)14-6-8-22-11-14/h1-9,11H,10H2,(H,20,21)
InChIKeyLWETZXMKRXHBKO-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

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Related Compounds

N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036784
2-thiophen-3-yl-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 53119776
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 67153947
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62248324
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625659
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide (CID 53036787) is N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide is O=C(NCc1ccccc1F)c1ccnc(-c2ccsc2)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide?
The InChIKey is LWETZXMKRXHBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-15-4-2-1-3-13(15)10-20-17(21)12-5-7-19-16(9-12)14-6-8-22-11-14/h1-9,11H,10H2,(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-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 N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 53036787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).