N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide

C25H24N2O4 — CID 162100274

IUPACN-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide
SMILESCOc1cc(-c2cnc3c(c2)C(c2ccc(NC(C)=O)cc2)=CC3)cc(OC)c1OC
InChIInChI=1S/C25H24N2O4/c1-15(28)27-19-7-5-16(6-8-19)20-9-10-22-21(20)11-18(14-26-22)17-12-23(29-2)25(31-4)24(13-17)30-3/h5-9,11-14H,10H2,1-4H3,(H,27,28)
InChIKeyZEUCMSBFWRNOLL-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.72
Rot. Bonds6

About N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide

N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide (PubChem CID 162100274) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide
PubChem CID162100274
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide
SMILESCOc1cc(-c2cnc3c(c2)C(c2ccc(NC(C)=O)cc2)=CC3)cc(OC)c1OC
InChIInChI=1S/C25H24N2O4/c1-15(28)27-19-7-5-16(6-8-19)20-9-10-22-21(20)11-18(14-26-22)17-12-23(29-2)25(31-4)24(13-17)30-3/h5-9,11-14H,10H2,1-4H3,(H,27,28)
InChIKeyZEUCMSBFWRNOLL-UHFFFAOYSA-N
XLogP4.72
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide
CID 147113310
N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide
CID 147425801
5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine
CID 149071105
N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide
CID 67120429
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
N-[4-[1-methyl-2,5-dioxo-4-(3,4,5-trimethoxyanilino)pyrrol-3-yl]phenyl]acetamide
CID 110562716
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162203525
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
N-(4-acetamidophenyl)-2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3318483

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide (CID 162100274) is N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide is COc1cc(-c2cnc3c(c2)C(c2ccc(NC(C)=O)cc2)=CC3)cc(OC)c1OC.
What is the InChIKey of N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is ZEUCMSBFWRNOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-15(28)27-19-7-5-16(6-8-19)20-9-10-22-21(20)11-18(14-26-22)17-12-23(29-2)25(31-4)24(13-17)30-3/h5-9,11-14H,10H2,1-4H3,(H,27,28).
What are the key properties of N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide?
N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 162100274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).