2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide

C21H23BrN4O2 — CID 55813717

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C21H23BrN4O2/c1-15-20(22)17-6-2-3-7-18(17)26(15)14-19(27)24-13-16-5-4-8-23-21(16)25-9-11-28-12-10-25/h2-8H,9-14H2,1H3,(H,24,27)
InChIKeyXHEGRSFITBPYLW-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.26
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide (PubChem CID 55813717) has the molecular formula C21H23BrN4O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
PubChem CID55813717
Molecular FormulaC21H23BrN4O2
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C21H23BrN4O2/c1-15-20(22)17-6-2-3-7-18(17)26(15)14-19(27)24-13-16-5-4-8-23-21(16)25-9-11-28-12-10-25/h2-8H,9-14H2,1H3,(H,24,27)
InChIKeyXHEGRSFITBPYLW-UHFFFAOYSA-N
XLogP3.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 52661759
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412
3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38543150
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
4-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 39248691
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 37489828
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 37489706
2-[4-(4-methylphenoxy)phenoxy]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 38544288
2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 55818659
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide (CID 55813717) is 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is XHEGRSFITBPYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O2/c1-15-20(22)17-6-2-3-7-18(17)26(15)14-19(27)24-13-16-5-4-8-23-21(16)25-9-11-28-12-10-25/h2-8H,9-14H2,1H3,(H,24,27).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 443.35 g/mol, XLogP of 3.26, 5 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-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55813717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).