3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide

C21H16FN3O2S — CID 70312634

IUPAC3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide
SMILESCc1cncc(F)c1C(=O)Nc1ccc(-c2cc(-c3nccs3)oc2C)cc1
InChIInChI=1S/C21H16FN3O2S/c1-12-10-23-11-17(22)19(12)20(26)25-15-5-3-14(4-6-15)16-9-18(27-13(16)2)21-24-7-8-28-21/h3-11H,1-2H3,(H,25,26)
InChIKeyYHHKGYOPNCNCAC-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.47
Rot. Bonds4

About 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide

3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide (PubChem CID 70312634) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide
PubChem CID70312634
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide
SMILESCc1cncc(F)c1C(=O)Nc1ccc(-c2cc(-c3nccs3)oc2C)cc1
InChIInChI=1S/C21H16FN3O2S/c1-12-10-23-11-17(22)19(12)20(26)25-15-5-3-14(4-6-15)16-9-18(27-13(16)2)21-24-7-8-28-21/h3-11H,1-2H3,(H,25,26)
InChIKeyYHHKGYOPNCNCAC-UHFFFAOYSA-N
XLogP5.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide (CID 70312634) is 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide is Cc1cncc(F)c1C(=O)Nc1ccc(-c2cc(-c3nccs3)oc2C)cc1.
What is the InChIKey of 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is YHHKGYOPNCNCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-12-10-23-11-17(22)19(12)20(26)25-15-5-3-14(4-6-15)16-9-18(27-13(16)2)21-24-7-8-28-21/h3-11H,1-2H3,(H,25,26).
What are the key properties of 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide?
3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 70312634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).