6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol

C11H18N2O5 — CID 572257

IUPAC6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol
SMILESOCC(O)C(O)C(O)C(O)CNc1ccccn1
InChIInChI=1S/C11H18N2O5/c14-6-8(16)11(18)10(17)7(15)5-13-9-3-1-2-4-12-9/h1-4,7-8,10-11,14-18H,5-6H2,(H,12,13)
InChIKeyIUHVRPSJKJXYEK-UHFFFAOYSA-N
MW258.27 g/mol
LogP-2.07
Rot. Bonds7

About 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol

6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol (PubChem CID 572257) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol
PubChem CID572257
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol
SMILESOCC(O)C(O)C(O)C(O)CNc1ccccn1
InChIInChI=1S/C11H18N2O5/c14-6-8(16)11(18)10(17)7(15)5-13-9-3-1-2-4-12-9/h1-4,7-8,10-11,14-18H,5-6H2,(H,12,13)
InChIKeyIUHVRPSJKJXYEK-UHFFFAOYSA-N
XLogP-2.07
TPSA126.07 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.27
LogP ≤ 5-2.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol (CID 572257) is 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol is OCC(O)C(O)C(O)C(O)CNc1ccccn1.
What is the InChIKey of 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol?
The InChIKey is IUHVRPSJKJXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c14-6-8(16)11(18)10(17)7(15)5-13-9-3-1-2-4-12-9/h1-4,7-8,10-11,14-18H,5-6H2,(H,12,13).
What are the key properties of 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol?
6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol has a molecular weight of 258.27 g/mol, XLogP of -2.07, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 572257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).