N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide

C17H16BrN3O2 — CID 112537380

IUPACN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide
SMILESCC(=O)N(C(=O)Cc1ccccn1)c1cc(Br)cc2c1NCC2
InChIInChI=1S/C17H16BrN3O2/c1-11(22)21(16(23)10-14-4-2-3-6-19-14)15-9-13(18)8-12-5-7-20-17(12)15/h2-4,6,8-9,20H,5,7,10H2,1H3
InChIKeyJFWQVJILRJLYOU-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.93
Rot. Bonds3

About N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide

N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide (PubChem CID 112537380) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide
PubChem CID112537380
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide
SMILESCC(=O)N(C(=O)Cc1ccccn1)c1cc(Br)cc2c1NCC2
InChIInChI=1S/C17H16BrN3O2/c1-11(22)21(16(23)10-14-4-2-3-6-19-14)15-9-13(18)8-12-5-7-20-17(12)15/h2-4,6,8-9,20H,5,7,10H2,1H3
InChIKeyJFWQVJILRJLYOU-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide (CID 112537380) is N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide is CC(=O)N(C(=O)Cc1ccccn1)c1cc(Br)cc2c1NCC2.
What is the InChIKey of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide?
The InChIKey is JFWQVJILRJLYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-11(22)21(16(23)10-14-4-2-3-6-19-14)15-9-13(18)8-12-5-7-20-17(12)15/h2-4,6,8-9,20H,5,7,10H2,1H3.
What are the key properties of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide?
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide has a molecular weight of 374.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 112537380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).