N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide

C11H14F2N2O2 — CID 103769874

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCC(O)C(F)F
InChIInChI=1S/C11H14F2N2O2/c12-11(13)9(16)7-15-10(17)4-3-8-2-1-5-14-6-8/h1-2,5-6,9,11,16H,3-4,7H2,(H,15,17)
InChIKeyAICQPEFDFYSQKQ-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.76
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide (PubChem CID 103769874) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
PubChem CID103769874
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCC(O)C(F)F
InChIInChI=1S/C11H14F2N2O2/c12-11(13)9(16)7-15-10(17)4-3-8-2-1-5-14-6-8/h1-2,5-6,9,11,16H,3-4,7H2,(H,15,17)
InChIKeyAICQPEFDFYSQKQ-UHFFFAOYSA-N
XLogP0.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
CID 111566159
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
(2S)-2-hydroxy-4-(3-pyridin-3-ylpropanoylamino)butanoic acid
CID 107834523
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 35556031
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide
CID 103770257
N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 103770356
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103769898

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide (CID 103769874) is N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide?
The InChIKey is AICQPEFDFYSQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-11(13)9(16)7-15-10(17)4-3-8-2-1-5-14-6-8/h1-2,5-6,9,11,16H,3-4,7H2,(H,15,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide has a molecular weight of 244.24 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 103769874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).