4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide

C25H24N2O2 — CID 147113310

IUPAC4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C2=CCc3ncc(-c4cc(C)c(C)c(OC)c4)cc32)cc1
InChIInChI=1S/C25H24N2O2/c1-15-11-19(13-24(29-4)16(15)2)20-12-22-21(9-10-23(22)27-14-20)17-5-7-18(8-6-17)25(28)26-3/h5-9,11-14H,10H2,1-4H3,(H,26,28)
InChIKeyBMXPOQBRMFCCGB-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.72
Rot. Bonds4

About 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide

4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide (PubChem CID 147113310) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide
PubChem CID147113310
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C2=CCc3ncc(-c4cc(C)c(C)c(OC)c4)cc32)cc1
InChIInChI=1S/C25H24N2O2/c1-15-11-19(13-24(29-4)16(15)2)20-12-22-21(9-10-23(22)27-14-20)17-5-7-18(8-6-17)25(28)26-3/h5-9,11-14H,10H2,1-4H3,(H,26,28)
InChIKeyBMXPOQBRMFCCGB-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide?
The IUPAC name of 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide (CID 147113310) is 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide?
The canonical SMILES for 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide is CNC(=O)c1ccc(C2=CCc3ncc(-c4cc(C)c(C)c(OC)c4)cc32)cc1.
What is the InChIKey of 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide?
The InChIKey is BMXPOQBRMFCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-15-11-19(13-24(29-4)16(15)2)20-12-22-21(9-10-23(22)27-14-20)17-5-7-18(8-6-17)25(28)26-3/h5-9,11-14H,10H2,1-4H3,(H,26,28).
What are the key properties of 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide?
4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 147113310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).