N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide

C12H18N2O4 — CID 171882826

IUPACN-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide
SMILESCOc1ccc(C(O)C(O)CCNC(C)=O)cn1
InChIInChI=1S/C12H18N2O4/c1-8(15)13-6-5-10(16)12(17)9-3-4-11(18-2)14-7-9/h3-4,7,10,12,16-17H,5-6H2,1-2H3,(H,13,15)
InChIKeyHZPTTYYKXJVSEV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.01
Rot. Bonds6

About N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide

N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide (PubChem CID 171882826) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide
PubChem CID171882826
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide
SMILESCOc1ccc(C(O)C(O)CCNC(C)=O)cn1
InChIInChI=1S/C12H18N2O4/c1-8(15)13-6-5-10(16)12(17)9-3-4-11(18-2)14-7-9/h3-4,7,10,12,16-17H,5-6H2,1-2H3,(H,13,15)
InChIKeyHZPTTYYKXJVSEV-UHFFFAOYSA-N
XLogP0.01
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
4-bromo-1-(6-methoxy-3-pyridinyl)butane-1,2-diol
CID 171891786
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
methyl 5-(4-acetamido-1,2-dihydroxybutyl)-2-aminopyridine-3-carboxylate
CID 171883681
tert-butyl N-[4-(6-bromo-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171885899
methyl 4-(4-acetamido-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171883516
methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
CID 114938482
N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882600
4-(4-acetamido-1,2-dihydroxybutyl)benzenesulfonyl fluoride
CID 171883365
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
N-[3,4-dihydroxy-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)butyl]acetamide
CID 171883227

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide (CID 171882826) is N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide is COc1ccc(C(O)C(O)CCNC(C)=O)cn1.
What is the InChIKey of N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide?
The InChIKey is HZPTTYYKXJVSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(15)13-6-5-10(16)12(17)9-3-4-11(18-2)14-7-9/h3-4,7,10,12,16-17H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide?
N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide is sourced from PubChem (CID 171882826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).