2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C16H14BrN3O — CID 29132462

IUPAC2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)NCc1ccccn1
InChIInChI=1S/C16H14BrN3O/c17-13-5-4-12-6-8-20(15(12)9-13)11-16(21)19-10-14-3-1-2-7-18-14/h1-9H,10-11H2,(H,19,21)
InChIKeyZKHCDFGAFOSQCS-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.12
Rot. Bonds4

About 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 29132462) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID29132462
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)NCc1ccccn1
InChIInChI=1S/C16H14BrN3O/c17-13-5-4-12-6-8-20(15(12)9-13)11-16(21)19-10-14-3-1-2-7-18-14/h1-9H,10-11H2,(H,19,21)
InChIKeyZKHCDFGAFOSQCS-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 90489428
2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 171476841
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
2-(6-bromoindol-1-yl)-N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 166330829
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500
(E)-3-(4-bromothiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 75407879
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55997984

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 29132462) is 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1ccc2ccc(Br)cc21)NCc1ccccn1.
What is the InChIKey of 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZKHCDFGAFOSQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-5-4-12-6-8-20(15(12)9-13)11-16(21)19-10-14-3-1-2-7-18-14/h1-9H,10-11H2,(H,19,21).
What are the key properties of 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 29132462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).