1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol

C10H17N3O2 — CID 171889665

IUPAC1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1cccnc1N
InChIInChI=1S/C10H17N3O2/c1-12-6-4-8(14)9(15)7-3-2-5-13-10(7)11/h2-3,5,8-9,12,14-15H,4,6H2,1H3,(H2,11,13)
InChIKeyHYFHZEOROVHKOF-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.33
Rot. Bonds5

About 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol

1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol (PubChem CID 171889665) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
PubChem CID171889665
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1cccnc1N
InChIInChI=1S/C10H17N3O2/c1-12-6-4-8(14)9(15)7-3-2-5-13-10(7)11/h2-3,5,8-9,12,14-15H,4,6H2,1H3,(H2,11,13)
InChIKeyHYFHZEOROVHKOF-UHFFFAOYSA-N
XLogP-0.33
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889879
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
1-(4-amino-2,3-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171890299
1-(2-ethoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890149
4-(methylamino)-1-(2-methylsulfanylphenyl)butane-1,2-diol
CID 171889747
4-(methylamino)-1-[2-(methylaminomethyl)phenyl]butane-1,2-diol
CID 171890262
1-(2-ethenylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889770
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
CID 125425283
1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
CID 103449229
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
CID 165405702
N-[2-[1,2-dihydroxy-4-(methylamino)butyl]phenyl]acetamide
CID 171890704

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol (CID 171889665) is 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol is CNCCC(O)C(O)c1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol?
The InChIKey is HYFHZEOROVHKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12-6-4-8(14)9(15)7-3-2-5-13-10(7)11/h2-3,5,8-9,12,14-15H,4,6H2,1H3,(H2,11,13).
What are the key properties of 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol?
1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of -0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol is sourced from PubChem (CID 171889665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).