3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol

C15H22N2O3 — CID 78150877

IUPAC3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol
SMILESOC1CC(c2cccnc2)C(NC2CCOCC2)C1O
InChIInChI=1S/C15H22N2O3/c18-13-8-12(10-2-1-5-16-9-10)14(15(13)19)17-11-3-6-20-7-4-11/h1-2,5,9,11-15,17-19H,3-4,6-8H2
InChIKeyYPYZEWMJDGRVCS-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.43
Rot. Bonds3

About 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol

3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol (PubChem CID 78150877) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol
PubChem CID78150877
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol
SMILESOC1CC(c2cccnc2)C(NC2CCOCC2)C1O
InChIInChI=1S/C15H22N2O3/c18-13-8-12(10-2-1-5-16-9-10)14(15(13)19)17-11-3-6-20-7-4-11/h1-2,5,9,11-15,17-19H,3-4,6-8H2
InChIKeyYPYZEWMJDGRVCS-UHFFFAOYSA-N
XLogP0.43
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol?
The IUPAC name of 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol (CID 78150877) is 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol.
What is the SMILES notation for 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol?
The canonical SMILES for 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol is OC1CC(c2cccnc2)C(NC2CCOCC2)C1O.
What is the InChIKey of 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol?
The InChIKey is YPYZEWMJDGRVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-13-8-12(10-2-1-5-16-9-10)14(15(13)19)17-11-3-6-20-7-4-11/h1-2,5,9,11-15,17-19H,3-4,6-8H2.
What are the key properties of 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol?
3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol has a molecular weight of 278.35 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol is sourced from PubChem (CID 78150877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).