2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile

C23H23N5 — CID 4659852

IUPAC2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCCN(CC)c1ccc(C=C2C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1
InChIInChI=1S/C23H23N5/c1-5-28(6-2)17-9-7-16(8-10-17)11-18-14(3)19(12-24)22-21(18)15(4)20(13-25)23(26)27-22/h7-11H,5-6H2,1-4H3,(H2,26,27)
InChIKeyZRJSZNNQIUTEMO-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.54
Rot. Bonds4

About 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile

2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile (PubChem CID 4659852) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile.

Molecular Properties

Compound Name2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
PubChem CID4659852
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCCN(CC)c1ccc(C=C2C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1
InChIInChI=1S/C23H23N5/c1-5-28(6-2)17-9-7-16(8-10-17)11-18-14(3)19(12-24)22-21(18)15(4)20(13-25)23(26)27-22/h7-11H,5-6H2,1-4H3,(H2,26,27)
InChIKeyZRJSZNNQIUTEMO-UHFFFAOYSA-N
XLogP4.54
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_cyano_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile?
The IUPAC name of 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile (CID 4659852) is 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile.
What is the SMILES notation for 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile?
The canonical SMILES for 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile is CCN(CC)c1ccc(C=C2C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1.
What is the InChIKey of 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile?
The InChIKey is ZRJSZNNQIUTEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-5-28(6-2)17-9-7-16(8-10-17)11-18-14(3)19(12-24)22-21(18)15(4)20(13-25)23(26)27-22/h7-11H,5-6H2,1-4H3,(H2,26,27).
What are the key properties of 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile?
2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile has a molecular weight of 369.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile is sourced from PubChem (CID 4659852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).