6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione

C16H14N2O2 — CID 4123655

IUPAC6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione
SMILESCN(C)c1ccc(C2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C16H14N2O2/c1-18(2)11-7-5-10(6-8-11)13-15(19)12-4-3-9-17-14(12)16(13)20/h3-9,13H,1-2H3
InChIKeyGSGWEPPJBDUOBR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.31
Rot. Bonds2

About 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione

6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione (PubChem CID 4123655) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione
PubChem CID4123655
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione
SMILESCN(C)c1ccc(C2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C16H14N2O2/c1-18(2)11-7-5-10(6-8-11)13-15(19)12-4-3-9-17-14(12)16(13)20/h3-9,13H,1-2H3
InChIKeyGSGWEPPJBDUOBR-UHFFFAOYSA-N
XLogP2.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione?
The IUPAC name of 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione (CID 4123655) is 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione is CN(C)c1ccc(C2C(=O)c3cccnc3C2=O)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione?
The InChIKey is GSGWEPPJBDUOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18(2)11-7-5-10(6-8-11)13-15(19)12-4-3-9-17-14(12)16(13)20/h3-9,13H,1-2H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione?
6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione has a molecular weight of 266.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]cyclopenta[b]pyridine-5,7-dione is sourced from PubChem (CID 4123655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).