N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide

C12H18N2O3 — CID 171882544

IUPACN-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cnccc1C
InChIInChI=1S/C12H18N2O3/c1-8-3-5-13-7-10(8)12(17)11(16)4-6-14-9(2)15/h3,5,7,11-12,16-17H,4,6H2,1-2H3,(H,14,15)
InChIKeyJZFYNUGXIWTIHC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.31
Rot. Bonds5

About N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide

N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide (PubChem CID 171882544) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
PubChem CID171882544
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cnccc1C
InChIInChI=1S/C12H18N2O3/c1-8-3-5-13-7-10(8)12(17)11(16)4-6-14-9(2)15/h3,5,7,11-12,16-17H,4,6H2,1-2H3,(H,14,15)
InChIKeyJZFYNUGXIWTIHC-UHFFFAOYSA-N
XLogP0.31
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide
CID 171883274
N-[4-(4-bromo-2-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884118
N-[4-(5-cyano-2-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883104
N-[3,4-dihydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]butyl]acetamide
CID 171883561
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
tert-butyl N-[4-(4-chloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884316
N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide
CID 171883255
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[4-(2,4-dichloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882730
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754
benzyl N-[2,3-dihydroxy-3-(4-methyl-3-pyridinyl)propyl]carbamate
CID 171855417

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide (CID 171882544) is N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide is CC(=O)NCCC(O)C(O)c1cnccc1C.
What is the InChIKey of N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide?
The InChIKey is JZFYNUGXIWTIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-3-5-13-7-10(8)12(17)11(16)4-6-14-9(2)15/h3,5,7,11-12,16-17H,4,6H2,1-2H3,(H,14,15).
What are the key properties of N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide?
N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide is sourced from PubChem (CID 171882544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).