3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol

C15H17N3O2 — CID 167876046

IUPAC3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol
SMILESOC1(CNc2ccncc2-c2cccnc2)CCOC1
InChIInChI=1S/C15H17N3O2/c19-15(4-7-20-11-15)10-18-14-3-6-17-9-13(14)12-2-1-5-16-8-12/h1-3,5-6,8-9,19H,4,7,10-11H2,(H,17,18)
InChIKeyPLQKWTXMDFTRQY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.71
Rot. Bonds4

About 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol

3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol (PubChem CID 167876046) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol
PubChem CID167876046
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol
SMILESOC1(CNc2ccncc2-c2cccnc2)CCOC1
InChIInChI=1S/C15H17N3O2/c19-15(4-7-20-11-15)10-18-14-3-6-17-9-13(14)12-2-1-5-16-8-12/h1-3,5-6,8-9,19H,4,7,10-11H2,(H,17,18)
InChIKeyPLQKWTXMDFTRQY-UHFFFAOYSA-N
XLogP1.71
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol (CID 167876046) is 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol is OC1(CNc2ccncc2-c2cccnc2)CCOC1.
What is the InChIKey of 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol?
The InChIKey is PLQKWTXMDFTRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(4-7-20-11-15)10-18-14-3-6-17-9-13(14)12-2-1-5-16-8-12/h1-3,5-6,8-9,19H,4,7,10-11H2,(H,17,18).
What are the key properties of 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol?
3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol has a molecular weight of 271.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 167876046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).