4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine

C13H15N3O — CID 144565497

IUPAC4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine
SMILESC=C/C(N)=C\C=C(/C=C)Oc1ccnc(N)c1
InChIInChI=1S/C13H15N3O/c1-3-10(14)5-6-11(4-2)17-12-7-8-16-13(15)9-12/h3-9H,1-2,14H2,(H2,15,16)/b10-5+,11-6+
InChIKeyOOYFTCLUWQQZTP-YOYBCKCWSA-N
MW229.28 g/mol
LogP2.14
Rot. Bonds5

About 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine

4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine (PubChem CID 144565497) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine.

Molecular Properties

Compound Name4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine
PubChem CID144565497
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine
SMILESC=C/C(N)=C\C=C(/C=C)Oc1ccnc(N)c1
InChIInChI=1S/C13H15N3O/c1-3-10(14)5-6-11(4-2)17-12-7-8-16-13(15)9-12/h3-9H,1-2,14H2,(H2,15,16)/b10-5+,11-6+
InChIKeyOOYFTCLUWQQZTP-YOYBCKCWSA-N
XLogP2.14
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine?
The IUPAC name of 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine (CID 144565497) is 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine.
What is the SMILES notation for 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine?
The canonical SMILES for 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine is C=C/C(N)=C\C=C(/C=C)Oc1ccnc(N)c1.
What is the InChIKey of 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine?
The InChIKey is OOYFTCLUWQQZTP-YOYBCKCWSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10(14)5-6-11(4-2)17-12-7-8-16-13(15)9-12/h3-9H,1-2,14H2,(H2,15,16)/b10-5+,11-6+.
What are the key properties of 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine?
4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-6-aminoocta-1,3,5,7-tetraen-3-yl]oxypyridin-2-amine is sourced from PubChem (CID 144565497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).