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

C11H17N3O3 — CID 171882497

IUPACN-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cccnc1N
InChIInChI=1S/C11H17N3O3/c1-7(15)13-6-4-9(16)10(17)8-3-2-5-14-11(8)12/h2-3,5,9-10,16-17H,4,6H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQWDLMPVUYNISRF-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.42
Rot. Bonds5

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

N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882497) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882497
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cccnc1N
InChIInChI=1S/C11H17N3O3/c1-7(15)13-6-4-9(16)10(17)8-3-2-5-14-11(8)12/h2-3,5,9-10,16-17H,4,6H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQWDLMPVUYNISRF-UHFFFAOYSA-N
XLogP-0.42
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889665
N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882686
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
N-[4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882852
N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide
CID 171883274
methyl 3-(4-acetamido-1,2-dihydroxybutyl)-2-aminobenzoate
CID 171883727
N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
CID 171882544
4-(4-acetamido-1,2-dihydroxybutyl)-3-aminobenzoic acid
CID 171883510
N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883466
N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide
CID 171883384
N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882639

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide (CID 171882497) is N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1cccnc1N.
What is the InChIKey of N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is QWDLMPVUYNISRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)13-6-4-9(16)10(17)8-3-2-5-14-11(8)12/h2-3,5,9-10,16-17H,4,6H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).