2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C19H20BrN3O — CID 171476841

IUPAC2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)n1cc(CC(=O)NCc2ccccn2)c2cc(Br)ccc21
InChIInChI=1S/C19H20BrN3O/c1-13(2)23-12-14(17-10-15(20)6-7-18(17)23)9-19(24)22-11-16-5-3-4-8-21-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24)
InChIKeyKURDNSAJXPYAIU-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.24
Rot. Bonds5

About 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 171476841) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID171476841
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)n1cc(CC(=O)NCc2ccccn2)c2cc(Br)ccc21
InChIInChI=1S/C19H20BrN3O/c1-13(2)23-12-14(17-10-15(20)6-7-18(17)23)9-19(24)22-11-16-5-3-4-8-21-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24)
InChIKeyKURDNSAJXPYAIU-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-(1-propan-2-ylindol-4-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
CID 91822099
2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 29132462
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate
CID 121240350
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110773320
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 71700823
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 48629926
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 171476841) is 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is CC(C)n1cc(CC(=O)NCc2ccccn2)c2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KURDNSAJXPYAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O/c1-13(2)23-12-14(17-10-15(20)6-7-18(17)23)9-19(24)22-11-16-5-3-4-8-21-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24).
What are the key properties of 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 386.29 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 171476841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).