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

C17H13FN2O2S — CID 11404686

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nccc(-c2cccs2)c1O
InChIInChI=1S/C17H13FN2O2S/c18-12-5-3-11(4-6-12)10-20-17(22)15-16(21)13(7-8-19-15)14-2-1-9-23-14/h1-9,21H,10H2,(H,20,22)
InChIKeyIYDUTDLHXPJKCA-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.58
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide (PubChem CID 11404686) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide
PubChem CID11404686
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nccc(-c2cccs2)c1O
InChIInChI=1S/C17H13FN2O2S/c18-12-5-3-11(4-6-12)10-20-17(22)15-16(21)13(7-8-19-15)14-2-1-9-23-14/h1-9,21H,10H2,(H,20,22)
InChIKeyIYDUTDLHXPJKCA-UHFFFAOYSA-N
XLogP3.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide (CID 11404686) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nccc(-c2cccs2)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide?
The InChIKey is IYDUTDLHXPJKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-12-5-3-11(4-6-12)10-20-17(22)15-16(21)13(7-8-19-15)14-2-1-9-23-14/h1-9,21H,10H2,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 11404686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).