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

C24H24ClN3O — CID 90338526

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C24H24ClN3O/c1-28(2)24(29)13-16-9-11-19(12-10-16)26-23-15-22(17-5-3-6-18(25)14-17)27-21-8-4-7-20(21)23/h3,5-6,9-12,14-15H,4,7-8,13H2,1-2H3,(H,26,27)
InChIKeyKVPYCNKXJKRJAI-UHFFFAOYSA-N
MW405.93 g/mol
LogP5.26
Rot. Bonds5

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

2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide (PubChem CID 90338526) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide
PubChem CID90338526
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C24H24ClN3O/c1-28(2)24(29)13-16-9-11-19(12-10-16)26-23-15-22(17-5-3-6-18(25)14-17)27-21-8-4-7-20(21)23/h3,5-6,9-12,14-15H,4,7-8,13H2,1-2H3,(H,26,27)
InChIKeyKVPYCNKXJKRJAI-UHFFFAOYSA-N
XLogP5.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide (CID 90338526) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is KVPYCNKXJKRJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c1-28(2)24(29)13-16-9-11-19(12-10-16)26-23-15-22(17-5-3-6-18(25)14-17)27-21-8-4-7-20(21)23/h3,5-6,9-12,14-15H,4,7-8,13H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 405.93 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 90338526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).