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

C12H16F2N2O3 — CID 107482583

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)N(CCO)CC(F)F
InChIInChI=1S/C12H16F2N2O3/c13-10(14)9-16(7-8-17)12(19)4-6-15-5-2-1-3-11(15)18/h1-3,5,10,17H,4,6-9H2
InChIKeyKMQMKGLJSDGZAZ-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.32
Rot. Bonds7

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 107482583) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID107482583
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)N(CCO)CC(F)F
InChIInChI=1S/C12H16F2N2O3/c13-10(14)9-16(7-8-17)12(19)4-6-15-5-2-1-3-11(15)18/h1-3,5,10,17H,4,6-9H2
InChIKeyKMQMKGLJSDGZAZ-UHFFFAOYSA-N
XLogP0.32
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 107482583) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide is O=C(CCn1ccccc1=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is KMQMKGLJSDGZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c13-10(14)9-16(7-8-17)12(19)4-6-15-5-2-1-3-11(15)18/h1-3,5,10,17H,4,6-9H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 274.27 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 107482583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).