4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide

C25H24N2O5 — CID 146729749

IUPAC4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide
SMILESCOc1cc(-c2cnc3c(c2)C(Cc2ccc(C(N)=O)cc2)C(=O)C3)cc(OC)c1OC
InChIInChI=1S/C25H24N2O5/c1-30-22-10-16(11-23(31-2)24(22)32-3)17-9-18-19(21(28)12-20(18)27-13-17)8-14-4-6-15(7-5-14)25(26)29/h4-7,9-11,13,19H,8,12H2,1-3H3,(H2,26,29)
InChIKeyRHESHHFXEXJVPT-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.32
Rot. Bonds7

About 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide

4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide (PubChem CID 146729749) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide
PubChem CID146729749
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide
SMILESCOc1cc(-c2cnc3c(c2)C(Cc2ccc(C(N)=O)cc2)C(=O)C3)cc(OC)c1OC
InChIInChI=1S/C25H24N2O5/c1-30-22-10-16(11-23(31-2)24(22)32-3)17-9-18-19(21(28)12-20(18)27-13-17)8-14-4-6-15(7-5-14)25(26)29/h4-7,9-11,13,19H,8,12H2,1-3H3,(H2,26,29)
InChIKeyRHESHHFXEXJVPT-UHFFFAOYSA-N
XLogP3.32
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide?
The IUPAC name of 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide (CID 146729749) is 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide.
What is the SMILES notation for 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide?
The canonical SMILES for 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide is COc1cc(-c2cnc3c(c2)C(Cc2ccc(C(N)=O)cc2)C(=O)C3)cc(OC)c1OC.
What is the InChIKey of 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide?
The InChIKey is RHESHHFXEXJVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-30-22-10-16(11-23(31-2)24(22)32-3)17-9-18-19(21(28)12-20(18)27-13-17)8-14-4-6-15(7-5-14)25(26)29/h4-7,9-11,13,19H,8,12H2,1-3H3,(H2,26,29).
What are the key properties of 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide?
4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide is sourced from PubChem (CID 146729749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).