2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide

C24H22BrN3O3 — CID 60521532

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)c(Br)c3ccccc32)cc1OCc1cccnc1
InChIInChI=1S/C24H22BrN3O3/c1-16-24(25)19-7-3-4-8-20(19)28(16)14-23(29)27-18-9-10-21(30-2)22(12-18)31-15-17-6-5-11-26-13-17/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyAZKJYRXLOFYCDA-UHFFFAOYSA-N
MW480.36 g/mol
LogP5.33
Rot. Bonds7

About 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide (PubChem CID 60521532) has the molecular formula C24H22BrN3O3 and a molecular weight of 480.36 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
PubChem CID60521532
Molecular FormulaC24H22BrN3O3
Molecular Weight480.36 g/mol
Exact Mass479.08
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)c(Br)c3ccccc32)cc1OCc1cccnc1
InChIInChI=1S/C24H22BrN3O3/c1-16-24(25)19-7-3-4-8-20(19)28(16)14-23(29)27-18-9-10-21(30-2)22(12-18)31-15-17-6-5-11-26-13-17/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyAZKJYRXLOFYCDA-UHFFFAOYSA-N
XLogP5.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 38627862
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55671880
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43069799
2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide
CID 55933821
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55672077
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide (CID 60521532) is 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide is COc1ccc(NC(=O)Cn2c(C)c(Br)c3ccccc32)cc1OCc1cccnc1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The InChIKey is AZKJYRXLOFYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O3/c1-16-24(25)19-7-3-4-8-20(19)28(16)14-23(29)27-18-9-10-21(30-2)22(12-18)31-15-17-6-5-11-26-13-17/h3-13H,14-15H2,1-2H3,(H,27,29).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide has a molecular weight of 480.36 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 60521532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).