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

C10H17N3O3 — CID 171857957

IUPAC1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cc(N)cnc1OC
InChIInChI=1S/C10H17N3O3/c1-12-5-8(14)9(15)7-3-6(11)4-13-10(7)16-2/h3-4,8-9,12,14-15H,5,11H2,1-2H3
InChIKeyZYGUCDJAFJSDSK-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.71
Rot. Bonds5

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

1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857957) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
PubChem CID171857957
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cc(N)cnc1OC
InChIInChI=1S/C10H17N3O3/c1-12-5-8(14)9(15)7-3-6(11)4-13-10(7)16-2/h3-4,8-9,12,14-15H,5,11H2,1-2H3
InChIKeyZYGUCDJAFJSDSK-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-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol with MolForge

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Related Compounds

methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate
CID 171864066
1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857949
5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
CID 55274368
N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide
CID 170830706
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170832220
methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858607
1-(5-chloro-2-methoxy-3-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171874197
1-[5-amino-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858596
4-amino-1-(2-methoxy-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171881905
1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857956
1-(5-bromo-2-hydroxy-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859243

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol (CID 171857957) is 1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cc(N)cnc1OC.
What is the InChIKey of 1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is ZYGUCDJAFJSDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12-5-8(14)9(15)7-3-6(11)4-13-10(7)16-2/h3-4,8-9,12,14-15H,5,11H2,1-2H3.
What are the key properties of 1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol?
1-(5-amino-2-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-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).