(2R,4R)-2-pyridin-3-yloxan-4-amine

C10H14N2O — CID 82653977

IUPAC(2R,4R)-2-pyridin-3-yloxan-4-amine
SMILESN[C@@H]1CCO[C@@H](c2cccnc2)C1
InChIInChI=1S/C10H14N2O/c11-9-3-5-13-10(6-9)8-2-1-4-12-7-8/h1-2,4,7,9-10H,3,5-6,11H2/t9-,10-/m1/s1
InChIKeyPNXJMZAFZYHREV-NXEZZACHSA-N
MW178.24 g/mol
LogP1.26
Rot. Bonds1

About (2R,4R)-2-pyridin-3-yloxan-4-amine

(2R,4R)-2-pyridin-3-yloxan-4-amine (PubChem CID 82653977) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (2R,4R)-2-pyridin-3-yloxan-4-amine.

Molecular Properties

Compound Name(2R,4R)-2-pyridin-3-yloxan-4-amine
PubChem CID82653977
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(2R,4R)-2-pyridin-3-yloxan-4-amine
SMILESN[C@@H]1CCO[C@@H](c2cccnc2)C1
InChIInChI=1S/C10H14N2O/c11-9-3-5-13-10(6-9)8-2-1-4-12-7-8/h1-2,4,7,9-10H,3,5-6,11H2/t9-,10-/m1/s1
InChIKeyPNXJMZAFZYHREV-NXEZZACHSA-N
XLogP1.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-pyridin-3-yloxan-4-amine?
The IUPAC name of (2R,4R)-2-pyridin-3-yloxan-4-amine (CID 82653977) is (2R,4R)-2-pyridin-3-yloxan-4-amine.
What is the SMILES notation for (2R,4R)-2-pyridin-3-yloxan-4-amine?
The canonical SMILES for (2R,4R)-2-pyridin-3-yloxan-4-amine is N[C@@H]1CCO[C@@H](c2cccnc2)C1.
What is the InChIKey of (2R,4R)-2-pyridin-3-yloxan-4-amine?
The InChIKey is PNXJMZAFZYHREV-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9-3-5-13-10(6-9)8-2-1-4-12-7-8/h1-2,4,7,9-10H,3,5-6,11H2/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-2-pyridin-3-yloxan-4-amine?
(2R,4R)-2-pyridin-3-yloxan-4-amine has a molecular weight of 178.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-pyridin-3-yloxan-4-amine is sourced from PubChem (CID 82653977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).