N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide

C12H17FN2O3 — CID 171882758

IUPACN-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(F)c(C)n1
InChIInChI=1S/C12H17FN2O3/c1-7-9(13)3-4-10(15-7)12(18)11(17)5-6-14-8(2)16/h3-4,11-12,17-18H,5-6H2,1-2H3,(H,14,16)
InChIKeyHVKVIYFYTFAPRG-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.45
Rot. Bonds5

About N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide

N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882758) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882758
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC NameN-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(F)c(C)n1
InChIInChI=1S/C12H17FN2O3/c1-7-9(13)3-4-10(15-7)12(18)11(17)5-6-14-8(2)16/h3-4,11-12,17-18H,5-6H2,1-2H3,(H,14,16)
InChIKeyHVKVIYFYTFAPRG-UHFFFAOYSA-N
XLogP0.45
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882517
N-[3,4-dihydroxy-4-(2,3,4-trifluorophenyl)butyl]acetamide
CID 171882871
N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882620
4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900675
N-[4-(3-fluoro-2-formyl-6-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883370
N-[4-[2-fluoro-4-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882960
N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882533
N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
CID 171882544
benzyl N-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171888136
N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882639
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
N-[4-(3-chloro-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882627

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide (CID 171882758) is N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc(F)c(C)n1.
What is the InChIKey of N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is HVKVIYFYTFAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-7-9(13)3-4-10(15-7)12(18)11(17)5-6-14-8(2)16/h3-4,11-12,17-18H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 256.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).