(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide

C12H13F3N2O2 — CID 99819991

IUPAC(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
SMILESC[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccn2)O1
InChIInChI=1S/C12H13F3N2O2/c1-7-2-3-9(19-7)11(18)17-10-6-8(4-5-16-10)12(13,14)15/h4-7,9H,2-3H2,1H3,(H,16,17,18)/t7-,9-/m1/s1
InChIKeyHJDLJOZJRRUJMI-VXNVDRBHSA-N
MW274.24 g/mol
LogP2.61
Rot. Bonds2

About (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide

(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 99819991) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID99819991
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
SMILESC[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccn2)O1
InChIInChI=1S/C12H13F3N2O2/c1-7-2-3-9(19-7)11(18)17-10-6-8(4-5-16-10)12(13,14)15/h4-7,9H,2-3H2,1H3,(H,16,17,18)/t7-,9-/m1/s1
InChIKeyHJDLJOZJRRUJMI-VXNVDRBHSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide (CID 99819991) is (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide is C[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccn2)O1.
What is the InChIKey of (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is HJDLJOZJRRUJMI-VXNVDRBHSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-7-2-3-9(19-7)11(18)17-10-6-8(4-5-16-10)12(13,14)15/h4-7,9H,2-3H2,1H3,(H,16,17,18)/t7-,9-/m1/s1.
What are the key properties of (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide?
(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 99819991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).