1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol

C11H18N4O2 — CID 22598726

IUPAC1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCN(C)c1nc(N2CC(O)C(O)C2)ccc1N
InChIInChI=1S/C11H18N4O2/c1-14(2)11-7(12)3-4-10(13-11)15-5-8(16)9(17)6-15/h3-4,8-9,16-17H,5-6,12H2,1-2H3
InChIKeyZRMANDHKMBDSAS-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.73
Rot. Bonds2

About 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol

1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 22598726) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol
PubChem CID22598726
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCN(C)c1nc(N2CC(O)C(O)C2)ccc1N
InChIInChI=1S/C11H18N4O2/c1-14(2)11-7(12)3-4-10(13-11)15-5-8(16)9(17)6-15/h3-4,8-9,16-17H,5-6,12H2,1-2H3
InChIKeyZRMANDHKMBDSAS-UHFFFAOYSA-N
XLogP-0.73
TPSA85.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol (CID 22598726) is 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol is CN(C)c1nc(N2CC(O)C(O)C2)ccc1N.
What is the InChIKey of 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol?
The InChIKey is ZRMANDHKMBDSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14(2)11-7(12)3-4-10(13-11)15-5-8(16)9(17)6-15/h3-4,8-9,16-17H,5-6,12H2,1-2H3.
What are the key properties of 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol?
1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 238.29 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 22598726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).