N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide

C11H15FN2O3 — CID 171882533

IUPACN-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2O3/c1-7(15)13-5-3-9(16)11(17)8-2-4-14-10(12)6-8/h2,4,6,9,11,16-17H,3,5H2,1H3,(H,13,15)
InChIKeyMTACNMHEEIEWJF-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.14
Rot. Bonds5

About N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide

N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882533) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882533
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC NameN-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2O3/c1-7(15)13-5-3-9(16)11(17)8-2-4-14-10(12)6-8/h2,4,6,9,11,16-17H,3,5H2,1H3,(H,13,15)
InChIKeyMTACNMHEEIEWJF-UHFFFAOYSA-N
XLogP0.14
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-cyano-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882726
methyl 4-(4-acetamido-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171883516
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[3,4-dihydroxy-4-[3-(sulfanylmethyl)phenyl]butyl]acetamide
CID 171882570
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-[4-(3-chloro-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882627
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139
N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171883930
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide (CID 171882533) is N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1ccnc(F)c1.
What is the InChIKey of N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is MTACNMHEEIEWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-7(15)13-5-3-9(16)11(17)8-2-4-14-10(12)6-8/h2,4,6,9,11,16-17H,3,5H2,1H3,(H,13,15).
What are the key properties of N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 242.25 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).