N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide

C13H16F3N3O3 — CID 136541053

IUPACN-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide
SMILESO=C(NCc1ccncc1OCC(F)(F)F)N1CCCCO1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)9-21-11-8-17-4-3-10(11)7-18-12(20)19-5-1-2-6-22-19/h3-4,8H,1-2,5-7,9H2,(H,18,20)
InChIKeyJUXAMKVSFHEWER-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.26
Rot. Bonds4

About N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide

N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide (PubChem CID 136541053) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide
PubChem CID136541053
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide
SMILESO=C(NCc1ccncc1OCC(F)(F)F)N1CCCCO1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)9-21-11-8-17-4-3-10(11)7-18-12(20)19-5-1-2-6-22-19/h3-4,8H,1-2,5-7,9H2,(H,18,20)
InChIKeyJUXAMKVSFHEWER-UHFFFAOYSA-N
XLogP2.26
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 100689737
4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 100689686
3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
CID 87259286
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
CID 126797164
N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
CID 126799159
4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133467997
[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]boronic acid
CID 131699870
3-methyl-1-[(3-phenylmethoxy-4-pyridinyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122013955
3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166197842
4-cyclopropyl-N-[(2R)-1-[methyl-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide
CID 167972076
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075003
(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 144745325

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide?
The IUPAC name of N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide (CID 136541053) is N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide.
What is the SMILES notation for N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide?
The canonical SMILES for N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide is O=C(NCc1ccncc1OCC(F)(F)F)N1CCCCO1.
What is the InChIKey of N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide?
The InChIKey is JUXAMKVSFHEWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c14-13(15,16)9-21-11-8-17-4-3-10(11)7-18-12(20)19-5-1-2-6-22-19/h3-4,8H,1-2,5-7,9H2,(H,18,20).
What are the key properties of N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide?
N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide is sourced from PubChem (CID 136541053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).