N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C17H14FN3O2S — CID 46897733

IUPACN-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)no1
InChIInChI=1S/C17H14FN3O2S/c1-11-8-15(21-23-11)10-24-16-7-2-12(9-19-16)17(22)20-14-5-3-13(18)4-6-14/h2-9H,10H2,1H3,(H,20,22)
InChIKeyMLFYDRDYIAWWHT-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.06
Rot. Bonds5

About N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 46897733) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID46897733
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)no1
InChIInChI=1S/C17H14FN3O2S/c1-11-8-15(21-23-11)10-24-16-7-2-12(9-19-16)17(22)20-14-5-3-13(18)4-6-14/h2-9H,10H2,1H3,(H,20,22)
InChIKeyMLFYDRDYIAWWHT-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 46897733) is N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is Cc1cc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)no1.
What is the InChIKey of N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is MLFYDRDYIAWWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-11-8-15(21-23-11)10-24-16-7-2-12(9-19-16)17(22)20-14-5-3-13(18)4-6-14/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 46897733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).