2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide

C20H19N3O2 — CID 90338497

IUPAC2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3ccco3)nc3c2CCC3)cc1
InChIInChI=1S/C20H19N3O2/c21-20(24)11-13-6-8-14(9-7-13)22-17-12-18(19-5-2-10-25-19)23-16-4-1-3-15(16)17/h2,5-10,12H,1,3-4,11H2,(H2,21,24)(H,22,23)
InChIKeyRGPKVHQMIOHEOA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide

2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide (PubChem CID 90338497) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
PubChem CID90338497
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3ccco3)nc3c2CCC3)cc1
InChIInChI=1S/C20H19N3O2/c21-20(24)11-13-6-8-14(9-7-13)22-17-12-18(19-5-2-10-25-19)23-16-4-1-3-15(16)17/h2,5-10,12H,1,3-4,11H2,(H2,21,24)(H,22,23)
InChIKeyRGPKVHQMIOHEOA-UHFFFAOYSA-N
XLogP3.60
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide (CID 90338497) is 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(-c3ccco3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The InChIKey is RGPKVHQMIOHEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-20(24)11-13-6-8-14(9-7-13)22-17-12-18(19-5-2-10-25-19)23-16-4-1-3-15(16)17/h2,5-10,12H,1,3-4,11H2,(H2,21,24)(H,22,23).
What are the key properties of 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 90338497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).