6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H16F3N3O3 — CID 66725458

IUPAC6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)on1
InChIInChI=1S/C19H16F3N3O3/c1-11-8-15(28-24-11)10-23-17(26)16-7-6-12(2)25(18(16)27)14-5-3-4-13(9-14)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyWUMGCUHAJIWYHR-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.39
Rot. Bonds4

About 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 66725458) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID66725458
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)on1
InChIInChI=1S/C19H16F3N3O3/c1-11-8-15(28-24-11)10-23-17(26)16-7-6-12(2)25(18(16)27)14-5-3-4-13(9-14)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyWUMGCUHAJIWYHR-UHFFFAOYSA-N
XLogP3.39
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 66725458) is 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1cc(CNC(=O)c2ccc(C)n(-c3cccc(C(F)(F)F)c3)c2=O)on1.
What is the InChIKey of 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is WUMGCUHAJIWYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-11-8-15(28-24-11)10-23-17(26)16-7-6-12(2)25(18(16)27)14-5-3-4-13(9-14)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,26).
What are the key properties of 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66725458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).