(2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide

C13H16F3N3O2 — CID 142586742

IUPAC(2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide
SMILESN[C@H]1CC[C@H](C(=O)NCc2ccc(C(F)(F)F)cn2)OC1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-1-3-10(18-5-8)6-19-12(20)11-4-2-9(17)7-21-11/h1,3,5,9,11H,2,4,6-7,17H2,(H,19,20)/t9-,11+/m0/s1
InChIKeyAUVNPZAIZYLSKV-GXSJLCMTSA-N
MW303.28 g/mol
LogP1.22
Rot. Bonds3

About (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide

(2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide (PubChem CID 142586742) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide
PubChem CID142586742
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name(2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide
SMILESN[C@H]1CC[C@H](C(=O)NCc2ccc(C(F)(F)F)cn2)OC1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-1-3-10(18-5-8)6-19-12(20)11-4-2-9(17)7-21-11/h1,3,5,9,11H,2,4,6-7,17H2,(H,19,20)/t9-,11+/m0/s1
InChIKeyAUVNPZAIZYLSKV-GXSJLCMTSA-N
XLogP1.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide?
The IUPAC name of (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide (CID 142586742) is (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide?
The canonical SMILES for (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide is N[C@H]1CC[C@H](C(=O)NCc2ccc(C(F)(F)F)cn2)OC1.
What is the InChIKey of (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide?
The InChIKey is AUVNPZAIZYLSKV-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)8-1-3-10(18-5-8)6-19-12(20)11-4-2-9(17)7-21-11/h1,3,5,9,11H,2,4,6-7,17H2,(H,19,20)/t9-,11+/m0/s1.
What are the key properties of (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide?
(2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-amino-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 142586742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).