N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide

C12H15F3N2O3 — CID 103857302

IUPACN-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1ccccc1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)9-17(7-8-18)11(20)4-6-16-5-2-1-3-10(16)19/h1-3,5,18H,4,6-9H2
InChIKeyDCDPHBOHDGNFIT-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.62
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103857302) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103857302
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1ccccc1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)9-17(7-8-18)11(20)4-6-16-5-2-1-3-10(16)19/h1-3,5,18H,4,6-9H2
InChIKeyDCDPHBOHDGNFIT-UHFFFAOYSA-N
XLogP0.62
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103857302) is N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCn1ccccc1=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DCDPHBOHDGNFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)9-17(7-8-18)11(20)4-6-16-5-2-1-3-10(16)19/h1-3,5,18H,4,6-9H2.
What are the key properties of N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 292.26 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103857302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).