2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

C24H25ClN2 — CID 131966721

IUPAC2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESCC(C)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C24H25ClN2/c1-16(2)13-17-9-11-20(12-10-17)26-24-15-23(18-5-3-6-19(25)14-18)27-22-8-4-7-21(22)24/h3,5-6,9-12,14-16H,4,7-8,13H2,1-2H3,(H,26,27)
InChIKeyYYFVRCJOQKGTDW-UHFFFAOYSA-N
MW376.93 g/mol
LogP6.83
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (PubChem CID 131966721) has the molecular formula C24H25ClN2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
PubChem CID131966721
Molecular FormulaC24H25ClN2
Molecular Weight376.93 g/mol
Exact Mass376.17
IUPAC Name2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESCC(C)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C24H25ClN2/c1-16(2)13-17-9-11-20(12-10-17)26-24-15-23(18-5-3-6-19(25)14-18)27-22-8-4-7-21(22)24/h3,5-6,9-12,14-16H,4,7-8,13H2,1-2H3,(H,26,27)
InChIKeyYYFVRCJOQKGTDW-UHFFFAOYSA-N
XLogP6.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (CID 131966721) is 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is CC(C)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The InChIKey is YYFVRCJOQKGTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2/c1-16(2)13-17-9-11-20(12-10-17)26-24-15-23(18-5-3-6-19(25)14-18)27-22-8-4-7-21(22)24/h3,5-6,9-12,14-16H,4,7-8,13H2,1-2H3,(H,26,27).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine has a molecular weight of 376.93 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 131966721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).