2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C17H14F3N3O3 — CID 134005215

IUPAC2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C17H14F3N3O3/c1-8-11(4-6-14(21-8)17(18,19)20)16(25)22-10-3-5-13-12(7-10)23-15(24)9(2)26-13/h3-7,9H,1-2H3,(H,22,25)(H,23,24)
InChIKeyJSGCDRQIINDUGU-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.38
Rot. Bonds2

About 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 134005215) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID134005215
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C17H14F3N3O3/c1-8-11(4-6-14(21-8)17(18,19)20)16(25)22-10-3-5-13-12(7-10)23-15(24)9(2)26-13/h3-7,9H,1-2H3,(H,22,25)(H,23,24)
InChIKeyJSGCDRQIINDUGU-UHFFFAOYSA-N
XLogP3.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 134005215) is 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JSGCDRQIINDUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-8-11(4-6-14(21-8)17(18,19)20)16(25)22-10-3-5-13-12(7-10)23-15(24)9(2)26-13/h3-7,9H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 365.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 134005215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).