N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide

C18H15FN2O3S — CID 11382770

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide
SMILESCOc1cc(-c2cccs2)nc(C(=O)NCc2ccc(F)cc2)c1O
InChIInChI=1S/C18H15FN2O3S/c1-24-14-9-13(15-3-2-8-25-15)21-16(17(14)22)18(23)20-10-11-4-6-12(19)7-5-11/h2-9,22H,10H2,1H3,(H,20,23)
InChIKeySJNGLGKKONXKJN-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.59
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide (PubChem CID 11382770) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide
PubChem CID11382770
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide
SMILESCOc1cc(-c2cccs2)nc(C(=O)NCc2ccc(F)cc2)c1O
InChIInChI=1S/C18H15FN2O3S/c1-24-14-9-13(15-3-2-8-25-15)21-16(17(14)22)18(23)20-10-11-4-6-12(19)7-5-11/h2-9,22H,10H2,1H3,(H,20,23)
InChIKeySJNGLGKKONXKJN-UHFFFAOYSA-N
XLogP3.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide (CID 11382770) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide is COc1cc(-c2cccs2)nc(C(=O)NCc2ccc(F)cc2)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide?
The InChIKey is SJNGLGKKONXKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-24-14-9-13(15-3-2-8-25-15)21-16(17(14)22)18(23)20-10-11-4-6-12(19)7-5-11/h2-9,22H,10H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-thiophen-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 11382770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).