3-(6-amino-3-pyridinyl)pentane-1,5-diol

C10H16N2O2 — CID 118045558

IUPAC3-(6-amino-3-pyridinyl)pentane-1,5-diol
SMILESNc1ccc(C(CCO)CCO)cn1
InChIInChI=1S/C10H16N2O2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2,(H2,11,12)
InChIKeySEBBUGZHFGGSMJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.51
Rot. Bonds5

About 3-(6-amino-3-pyridinyl)pentane-1,5-diol

3-(6-amino-3-pyridinyl)pentane-1,5-diol (PubChem CID 118045558) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)pentane-1,5-diol
PubChem CID118045558
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(6-amino-3-pyridinyl)pentane-1,5-diol
SMILESNc1ccc(C(CCO)CCO)cn1
InChIInChI=1S/C10H16N2O2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2,(H2,11,12)
InChIKeySEBBUGZHFGGSMJ-UHFFFAOYSA-N
XLogP0.51
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(6-amino-3-pyridinyl)pentane-1,5-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)pentane-1,5-diol?
The IUPAC name of 3-(6-amino-3-pyridinyl)pentane-1,5-diol (CID 118045558) is 3-(6-amino-3-pyridinyl)pentane-1,5-diol.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)pentane-1,5-diol?
The canonical SMILES for 3-(6-amino-3-pyridinyl)pentane-1,5-diol is Nc1ccc(C(CCO)CCO)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)pentane-1,5-diol?
The InChIKey is SEBBUGZHFGGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2,(H2,11,12).
What are the key properties of 3-(6-amino-3-pyridinyl)pentane-1,5-diol?
3-(6-amino-3-pyridinyl)pentane-1,5-diol has a molecular weight of 196.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)pentane-1,5-diol is sourced from PubChem (CID 118045558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).