N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide

C12H10BrN3O — CID 63900094

IUPACN-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrN3O/c13-10-3-4-11(15-8-10)16-12(17)6-9-2-1-5-14-7-9/h1-5,7-8H,6H2,(H,15,16,17)
InChIKeyYBMQTIQAYIIENZ-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.42
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide

N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide (PubChem CID 63900094) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide
PubChem CID63900094
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC NameN-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrN3O/c13-10-3-4-11(15-8-10)16-12(17)6-9-2-1-5-14-7-9/h1-5,7-8H,6H2,(H,15,16,17)
InChIKeyYBMQTIQAYIIENZ-UHFFFAOYSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide (CID 63900094) is N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide?
The InChIKey is YBMQTIQAYIIENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-10-3-4-11(15-8-10)16-12(17)6-9-2-1-5-14-7-9/h1-5,7-8H,6H2,(H,15,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide?
N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide has a molecular weight of 292.14 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 63900094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).