5-N-acridin-9-ylpyridine-2,5-diamine

C18H14N4 — CID 10684630

IUPAC5-N-acridin-9-ylpyridine-2,5-diamine
SMILESNc1ccc(Nc2c3ccccc3nc3ccccc23)cn1
InChIInChI=1S/C18H14N4/c19-17-10-9-12(11-20-17)21-18-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)18/h1-11H,(H2,19,20)(H,21,22)
InChIKeyGICVGYKOPONOSR-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.11
Rot. Bonds2

About 5-N-acridin-9-ylpyridine-2,5-diamine

5-N-acridin-9-ylpyridine-2,5-diamine (PubChem CID 10684630) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-N-acridin-9-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-acridin-9-ylpyridine-2,5-diamine
PubChem CID10684630
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name5-N-acridin-9-ylpyridine-2,5-diamine
SMILESNc1ccc(Nc2c3ccccc3nc3ccccc23)cn1
InChIInChI=1S/C18H14N4/c19-17-10-9-12(11-20-17)21-18-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)18/h1-11H,(H2,19,20)(H,21,22)
InChIKeyGICVGYKOPONOSR-UHFFFAOYSA-N
XLogP4.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-acridin-9-ylpyridine-2,5-diamine?
The IUPAC name of 5-N-acridin-9-ylpyridine-2,5-diamine (CID 10684630) is 5-N-acridin-9-ylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-acridin-9-ylpyridine-2,5-diamine?
The canonical SMILES for 5-N-acridin-9-ylpyridine-2,5-diamine is Nc1ccc(Nc2c3ccccc3nc3ccccc23)cn1.
What is the InChIKey of 5-N-acridin-9-ylpyridine-2,5-diamine?
The InChIKey is GICVGYKOPONOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-17-10-9-12(11-20-17)21-18-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)18/h1-11H,(H2,19,20)(H,21,22).
What are the key properties of 5-N-acridin-9-ylpyridine-2,5-diamine?
5-N-acridin-9-ylpyridine-2,5-diamine has a molecular weight of 286.34 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-acridin-9-ylpyridine-2,5-diamine is sourced from PubChem (CID 10684630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).