N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide

C25H20FN3O4S — CID 58541566

IUPACN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cccc(F)c1Oc1ccc(NC(=O)c2ccncc2)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C25H20FN3O4S/c1-32-22-4-2-3-20(26)24(22)33-21-6-5-18(29-25(31)16-7-9-27-10-8-16)13-17(21)14-19(30)15-23-28-11-12-34-23/h2-13H,14-15H2,1H3,(H,29,31)
InChIKeyKHPXIUGYMWNNBK-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.08
Rot. Bonds9

About N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide (PubChem CID 58541566) has the molecular formula C25H20FN3O4S and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide
PubChem CID58541566
Molecular FormulaC25H20FN3O4S
Molecular Weight477.52 g/mol
Exact Mass477.12
IUPAC NameN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cccc(F)c1Oc1ccc(NC(=O)c2ccncc2)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C25H20FN3O4S/c1-32-22-4-2-3-20(26)24(22)33-21-6-5-18(29-25(31)16-7-9-27-10-8-16)13-17(21)14-19(30)15-23-28-11-12-34-23/h2-13H,14-15H2,1H3,(H,29,31)
InChIKeyKHPXIUGYMWNNBK-UHFFFAOYSA-N
XLogP5.08
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide (CID 58541566) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide is COc1cccc(F)c1Oc1ccc(NC(=O)c2ccncc2)cc1CC(=O)Cc1nccs1.
What is the InChIKey of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide?
The InChIKey is KHPXIUGYMWNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4S/c1-32-22-4-2-3-20(26)24(22)33-21-6-5-18(29-25(31)16-7-9-27-10-8-16)13-17(21)14-19(30)15-23-28-11-12-34-23/h2-13H,14-15H2,1H3,(H,29,31).
What are the key properties of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide?
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 58541566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).