5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine

C19H16N4 — CID 153166371

IUPAC5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine
SMILESNc1ccc(C2=CCc3ncc(-c4ccc(N)nc4)cc32)cc1
InChIInChI=1S/C19H16N4/c20-15-4-1-12(2-5-15)16-6-7-18-17(16)9-14(11-22-18)13-3-8-19(21)23-10-13/h1-6,8-11H,7,20H2,(H2,21,23)
InChIKeyWDIOWMRGCZAXIM-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.30
Rot. Bonds2

About 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine

5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine (PubChem CID 153166371) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine
PubChem CID153166371
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine
SMILESNc1ccc(C2=CCc3ncc(-c4ccc(N)nc4)cc32)cc1
InChIInChI=1S/C19H16N4/c20-15-4-1-12(2-5-15)16-6-7-18-17(16)9-14(11-22-18)13-3-8-19(21)23-10-13/h1-6,8-11H,7,20H2,(H2,21,23)
InChIKeyWDIOWMRGCZAXIM-UHFFFAOYSA-N
XLogP3.30
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine (CID 153166371) is 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine is Nc1ccc(C2=CCc3ncc(-c4ccc(N)nc4)cc32)cc1.
What is the InChIKey of 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine?
The InChIKey is WDIOWMRGCZAXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c20-15-4-1-12(2-5-15)16-6-7-18-17(16)9-14(11-22-18)13-3-8-19(21)23-10-13/h1-6,8-11H,7,20H2,(H2,21,23).
What are the key properties of 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine?
5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-aminophenyl)-7H-cyclopenta[b]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 153166371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).