N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C11H13F3N2O3 — CID 110886222

IUPACN-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCCO
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)8-2-3-10(19)16(6-8)7-9(18)15-4-1-5-17/h2-3,6,17H,1,4-5,7H2,(H,15,18)
InChIKeyPOLMCBRAINQJFV-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.37
Rot. Bonds5

About N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 110886222) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID110886222
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCCO
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)8-2-3-10(19)16(6-8)7-9(18)15-4-1-5-17/h2-3,6,17H,1,4-5,7H2,(H,15,18)
InChIKeyPOLMCBRAINQJFV-UHFFFAOYSA-N
XLogP0.37
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 110886222) is N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is POLMCBRAINQJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)8-2-3-10(19)16(6-8)7-9(18)15-4-1-5-17/h2-3,6,17H,1,4-5,7H2,(H,15,18).
What are the key properties of N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 278.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 110886222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).