(3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide

C14H16ClF3N2O2 — CID 125144395

IUPAC(3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C14H16ClF3N2O2/c1-8(19-13(21)9-3-2-6-22-7-9)10-4-5-11(14(16,17)18)20-12(10)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,21)/t8-,9-/m1/s1
InChIKeyWFSBXZUDKVJDRJ-RKDXNWHRSA-N
MW336.74 g/mol
LogP3.36
Rot. Bonds3

About (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide

(3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide (PubChem CID 125144395) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide
PubChem CID125144395
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC Name(3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C14H16ClF3N2O2/c1-8(19-13(21)9-3-2-6-22-7-9)10-4-5-11(14(16,17)18)20-12(10)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,21)/t8-,9-/m1/s1
InChIKeyWFSBXZUDKVJDRJ-RKDXNWHRSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[(1S)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-[(3S)-oxolan-3-yl]ethanamine
CID 125419954
(1R)-N-[(1S)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-[(3S)-oxolan-3-yl]ethanamine
CID 125419953
3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62758810
(2S)-3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62759763
N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide
CID 138013636
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
CID 106971520
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
CID 63010645

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide (CID 125144395) is (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide?
The InChIKey is WFSBXZUDKVJDRJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c1-8(19-13(21)9-3-2-6-22-7-9)10-4-5-11(14(16,17)18)20-12(10)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,21)/t8-,9-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide?
(3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide has a molecular weight of 336.74 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]oxane-3-carboxamide is sourced from PubChem (CID 125144395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).