2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide

C24H24ClN3O2 — CID 163994704

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1)C(N)=O
InChIInChI=1S/C24H24ClN3O2/c1-15(24(26)29)30-19-11-9-18(10-12-19)28(2)23-14-22(16-5-3-6-17(25)13-16)27-21-8-4-7-20(21)23/h3,5-6,9-15H,4,7-8H2,1-2H3,(H2,26,29)
InChIKeyUDRABQDJPCYAEA-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.91
Rot. Bonds6

About 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide

2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide (PubChem CID 163994704) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide
PubChem CID163994704
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1)C(N)=O
InChIInChI=1S/C24H24ClN3O2/c1-15(24(26)29)30-19-11-9-18(10-12-19)28(2)23-14-22(16-5-3-6-17(25)13-16)27-21-8-4-7-20(21)23/h3,5-6,9-15H,4,7-8H2,1-2H3,(H2,26,29)
InChIKeyUDRABQDJPCYAEA-UHFFFAOYSA-N
XLogP4.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-methylamino]phenoxy]propanamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide (CID 163994704) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide is CC(Oc1ccc(N(C)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1)C(N)=O.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide?
The InChIKey is UDRABQDJPCYAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-15(24(26)29)30-19-11-9-18(10-12-19)28(2)23-14-22(16-5-3-6-17(25)13-16)27-21-8-4-7-20(21)23/h3,5-6,9-15H,4,7-8H2,1-2H3,(H2,26,29).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide has a molecular weight of 421.93 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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]-methylamino]phenoxy]propanamide is sourced from PubChem (CID 163994704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).