1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol

C10H17N3O3 — CID 171857949

IUPAC1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cnc(N)c(OC)c1
InChIInChI=1S/C10H17N3O3/c1-12-5-7(14)9(15)6-3-8(16-2)10(11)13-4-6/h3-4,7,9,12,14-15H,5H2,1-2H3,(H2,11,13)
InChIKeyNDSYTCWCCYRFDE-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.71
Rot. Bonds5

About 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol

1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857949) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
PubChem CID171857949
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cnc(N)c(OC)c1
InChIInChI=1S/C10H17N3O3/c1-12-5-7(14)9(15)6-3-8(16-2)10(11)13-4-6/h3-4,7,9,12,14-15H,5H2,1-2H3,(H2,11,13)
InChIKeyNDSYTCWCCYRFDE-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

Analyze 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile
CID 171858087
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193
1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859184
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
CID 171858316
3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol
CID 171857762
1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857957
1-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859245
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859246
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859158
1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol (CID 171857949) is 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cnc(N)c(OC)c1.
What is the InChIKey of 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is NDSYTCWCCYRFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12-5-7(14)9(15)6-3-8(16-2)10(11)13-4-6/h3-4,7,9,12,14-15H,5H2,1-2H3,(H2,11,13).
What are the key properties of 1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol?
1-(6-amino-5-methoxy-3-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-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).