5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one

C10H16N2O3 — CID 171881026

IUPAC5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(C(O)C(O)CCN)c[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-6-4-7(5-12-10(6)15)9(14)8(13)2-3-11/h4-5,8-9,13-14H,2-3,11H2,1H3,(H,12,15)
InChIKeyHZJGWMGMJYCFGV-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.57
Rot. Bonds4

About 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one

5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one (PubChem CID 171881026) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one
PubChem CID171881026
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(C(O)C(O)CCN)c[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-6-4-7(5-12-10(6)15)9(14)8(13)2-3-11/h4-5,8-9,13-14H,2-3,11H2,1H3,(H,12,15)
InChIKeyHZJGWMGMJYCFGV-UHFFFAOYSA-N
XLogP-0.57
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,2-diaminoethyl)-3-methyl-1H-pyridin-2-one
CID 55293763
5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
CID 170827810
3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
CID 171872063
5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one
CID 130857100
4-amino-1-(3-methyl-4-nitrophenyl)butane-1,2-diol
CID 171881730
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
3-amino-5-(3-bromo-1,2-dihydroxypropyl)-1H-pyridin-2-one
CID 171859671
5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
CID 55293497
5-amino-3-methyl-1H-pyridin-2-one
CID 62475744
6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 171881501
5-(4-amino-1,2-dihydroxybutyl)-3-methylpyridine-2-carbonitrile
CID 171881230
5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
CID 130614731

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one (CID 171881026) is 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one is Cc1cc(C(O)C(O)CCN)c[nH]c1=O.
What is the InChIKey of 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is HZJGWMGMJYCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-4-7(5-12-10(6)15)9(14)8(13)2-3-11/h4-5,8-9,13-14H,2-3,11H2,1H3,(H,12,15).
What are the key properties of 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one?
5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 212.25 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 171881026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).