1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol

C10H17N3O3 — CID 171857956

IUPAC1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1nc(OC)ccc1N
InChIInChI=1S/C10H17N3O3/c1-12-5-7(14)10(15)9-6(11)3-4-8(13-9)16-2/h3-4,7,10,12,14-15H,5,11H2,1-2H3
InChIKeyGVPFXHZUCGVYAZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.71
Rot. Bonds5

About 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol

1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857956) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol
PubChem CID171857956
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1nc(OC)ccc1N
InChIInChI=1S/C10H17N3O3/c1-12-5-7(14)10(15)9-6(11)3-4-8(13-9)16-2/h3-4,7,10,12,14-15H,5,11H2,1-2H3
InChIKeyGVPFXHZUCGVYAZ-UHFFFAOYSA-N
XLogP-0.71
TPSA100.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol
CID 171859985
4-(3-amino-6-methoxy-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171899177
benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855925
1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889865
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171857750
2-[1-(3-amino-6-methoxy-2-pyridinyl)pentylamino]ethanol
CID 69335997
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857957
1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857949
1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
CID 171858748
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol (CID 171857956) is 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1nc(OC)ccc1N.
What is the InChIKey of 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is GVPFXHZUCGVYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12-5-7(14)10(15)9-6(11)3-4-8(13-9)16-2/h3-4,7,10,12,14-15H,5,11H2,1-2H3.
What are the key properties of 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol?
1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 227.26 g/mol, XLogP of -0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).