N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H17F3N2O3 — CID 35233917

IUPACN-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)[C@H]1CCCO1
InChIInChI=1S/C14H17F3N2O3/c1-9(11-3-2-6-22-11)18-12(20)8-19-7-10(14(15,16)17)4-5-13(19)21/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,20)/t9-,11+/m0/s1
InChIKeyLOPOZQODIMXGSH-GXSJLCMTSA-N
MW318.30 g/mol
LogP1.55
Rot. Bonds4

About N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 35233917) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID35233917
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC NameN-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)[C@H]1CCCO1
InChIInChI=1S/C14H17F3N2O3/c1-9(11-3-2-6-22-11)18-12(20)8-19-7-10(14(15,16)17)4-5-13(19)21/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,20)/t9-,11+/m0/s1
InChIKeyLOPOZQODIMXGSH-GXSJLCMTSA-N
XLogP1.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 35233917) is N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)[C@H]1CCCO1.
What is the InChIKey of N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is LOPOZQODIMXGSH-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-9(11-3-2-6-22-11)18-12(20)8-19-7-10(14(15,16)17)4-5-13(19)21/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,20)/t9-,11+/m0/s1.
What are the key properties of N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 318.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 35233917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).