6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide

C17H13FN4O3 — CID 69142499

IUPAC6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(F)cc(C(=O)Nc2ccon2)cc1-c1ccc(C(N)=O)cn1
InChIInChI=1S/C17H13FN4O3/c1-9-12(14-3-2-10(8-20-14)16(19)23)6-11(7-13(9)18)17(24)21-15-4-5-25-22-15/h2-8H,1H3,(H2,19,23)(H,21,22,24)
InChIKeyNTHZYDXKTQFSFD-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.54
Rot. Bonds4

About 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide

6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 69142499) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID69142499
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(F)cc(C(=O)Nc2ccon2)cc1-c1ccc(C(N)=O)cn1
InChIInChI=1S/C17H13FN4O3/c1-9-12(14-3-2-10(8-20-14)16(19)23)6-11(7-13(9)18)17(24)21-15-4-5-25-22-15/h2-8H,1H3,(H2,19,23)(H,21,22,24)
InChIKeyNTHZYDXKTQFSFD-UHFFFAOYSA-N
XLogP2.54
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 69142499) is 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide is Cc1c(F)cc(C(=O)Nc2ccon2)cc1-c1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NTHZYDXKTQFSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c1-9-12(14-3-2-10(8-20-14)16(19)23)6-11(7-13(9)18)17(24)21-15-4-5-25-22-15/h2-8H,1H3,(H2,19,23)(H,21,22,24).
What are the key properties of 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 69142499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).