N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide

C32H30N2O2 — CID 147425801

IUPACN-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide
SMILESCOc1cc(-c2cnc3c(c2)C(c2ccc(CNC(=O)Cc4ccccc4)cc2)=CC3)cc(C)c1C
InChIInChI=1S/C32H30N2O2/c1-21-15-26(18-31(36-3)22(21)2)27-17-29-28(13-14-30(29)33-20-27)25-11-9-24(10-12-25)19-34-32(35)16-23-7-5-4-6-8-23/h4-13,15,17-18,20H,14,16,19H2,1-3H3,(H,34,35)
InChIKeyDTJCDWUGSBVFDD-UHFFFAOYSA-N
MW474.60 g/mol
LogP6.22
Rot. Bonds7

About N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide

N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide (PubChem CID 147425801) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide
PubChem CID147425801
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC NameN-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide
SMILESCOc1cc(-c2cnc3c(c2)C(c2ccc(CNC(=O)Cc4ccccc4)cc2)=CC3)cc(C)c1C
InChIInChI=1S/C32H30N2O2/c1-21-15-26(18-31(36-3)22(21)2)27-17-29-28(13-14-30(29)33-20-27)25-11-9-24(10-12-25)19-34-32(35)16-23-7-5-4-6-8-23/h4-13,15,17-18,20H,14,16,19H2,1-3H3,(H,34,35)
InChIKeyDTJCDWUGSBVFDD-UHFFFAOYSA-N
XLogP6.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide
CID 147113310
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
N-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]-3-phenylpropanamide
CID 7267574
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide
CID 155556093
methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate
CID 67148501
2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
CID 154144310
N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267215
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide (CID 147425801) is N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide is COc1cc(-c2cnc3c(c2)C(c2ccc(CNC(=O)Cc4ccccc4)cc2)=CC3)cc(C)c1C.
What is the InChIKey of N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is DTJCDWUGSBVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-21-15-26(18-31(36-3)22(21)2)27-17-29-28(13-14-30(29)33-20-27)25-11-9-24(10-12-25)19-34-32(35)16-23-7-5-4-6-8-23/h4-13,15,17-18,20H,14,16,19H2,1-3H3,(H,34,35).
What are the key properties of N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide?
N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 474.60 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 147425801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).