1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol

C13H20N4O2 — CID 22598705

IUPAC1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESNc1ccc(N2CCC(O)C2)nc1N1CCC(O)C1
InChIInChI=1S/C13H20N4O2/c14-11-1-2-12(16-5-3-9(18)7-16)15-13(11)17-6-4-10(19)8-17/h1-2,9-10,18-19H,3-8,14H2
InChIKeyYIWBOJHZQHPZFW-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.19
Rot. Bonds2

About 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol

1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 22598705) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID22598705
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESNc1ccc(N2CCC(O)C2)nc1N1CCC(O)C1
InChIInChI=1S/C13H20N4O2/c14-11-1-2-12(16-5-3-9(18)7-16)15-13(11)17-6-4-10(19)8-17/h1-2,9-10,18-19H,3-8,14H2
InChIKeyYIWBOJHZQHPZFW-UHFFFAOYSA-N
XLogP-0.19
TPSA85.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.19
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-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 22598705) is 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol is Nc1ccc(N2CCC(O)C2)nc1N1CCC(O)C1.
What is the InChIKey of 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is YIWBOJHZQHPZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-11-1-2-12(16-5-3-9(18)7-16)15-13(11)17-6-4-10(19)8-17/h1-2,9-10,18-19H,3-8,14H2.
What are the key properties of 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol?
1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 264.33 g/mol, XLogP of -0.19, 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-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 22598705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).