N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide

C11H14F2N2O3 — CID 113462725

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCC(F)(F)CO
InChIInChI=1S/C11H14F2N2O3/c12-11(13,8-16)7-14-9(17)4-6-15-5-2-1-3-10(15)18/h1-3,5,16H,4,6-8H2,(H,14,17)
InChIKeyMSVZAZULIFZMBS-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.02
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 113462725) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID113462725
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCC(F)(F)CO
InChIInChI=1S/C11H14F2N2O3/c12-11(13,8-16)7-14-9(17)4-6-15-5-2-1-3-10(15)18/h1-3,5,16H,4,6-8H2,(H,14,17)
InChIKeyMSVZAZULIFZMBS-UHFFFAOYSA-N
XLogP-0.02
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 113462725) is N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide is O=C(CCn1ccccc1=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is MSVZAZULIFZMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c12-11(13,8-16)7-14-9(17)4-6-15-5-2-1-3-10(15)18/h1-3,5,16H,4,6-8H2,(H,14,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 260.24 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 113462725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).