2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide

C9H8F3N3O2 — CID 176549428

IUPAC2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
SMILESNC(=O)N1CC(C(F)(F)F)Oc2ccncc21
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)7-4-15(8(13)16)5-3-14-2-1-6(5)17-7/h1-3,7H,4H2,(H2,13,16)
InChIKeyRDMAROHBSSOKPY-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.29
Rot. Bonds

About 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide

2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide (PubChem CID 176549428) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
PubChem CID176549428
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
SMILESNC(=O)N1CC(C(F)(F)F)Oc2ccncc21
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)7-4-15(8(13)16)5-3-14-2-1-6(5)17-7/h1-3,7H,4H2,(H2,13,16)
InChIKeyRDMAROHBSSOKPY-UHFFFAOYSA-N
XLogP1.29
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 168698147
4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 164614304
(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 30080218
2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
CID 167926677
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 44610282
N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 166315197
1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 91652693
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 126771622
spiro[2H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-1-carboxamide
CID 154467450
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 175774932
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 95463386

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide (CID 176549428) is 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide is NC(=O)N1CC(C(F)(F)F)Oc2ccncc21.
What is the InChIKey of 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The InChIKey is RDMAROHBSSOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c10-9(11,12)7-4-15(8(13)16)5-3-14-2-1-6(5)17-7/h1-3,7H,4H2,(H2,13,16).
What are the key properties of 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide has a molecular weight of 247.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 176549428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).