(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone

C10H13N3O2 — CID 116587384

IUPAC(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone
SMILESNc1ccncc1C(=O)C1COCC1N
InChIInChI=1S/C10H13N3O2/c11-8-1-2-13-3-6(8)10(14)7-4-15-5-9(7)12/h1-3,7,9H,4-5,12H2,(H2,11,13)
InChIKeyZKTYYHIHVFOGOP-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.18
Rot. Bonds2

About (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone

(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone (PubChem CID 116587384) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone
PubChem CID116587384
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone
SMILESNc1ccncc1C(=O)C1COCC1N
InChIInChI=1S/C10H13N3O2/c11-8-1-2-13-3-6(8)10(14)7-4-15-5-9(7)12/h1-3,7,9H,4-5,12H2,(H2,11,13)
InChIKeyZKTYYHIHVFOGOP-UHFFFAOYSA-N
XLogP-0.18
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone (CID 116587384) is (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone is Nc1ccncc1C(=O)C1COCC1N.
What is the InChIKey of (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone?
The InChIKey is ZKTYYHIHVFOGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8-1-2-13-3-6(8)10(14)7-4-15-5-9(7)12/h1-3,7,9H,4-5,12H2,(H2,11,13).
What are the key properties of (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone?
(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone has a molecular weight of 207.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone is sourced from PubChem (CID 116587384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).