2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C11H12BrN5O2 — CID 64547769

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H12BrN5O2/c12-8-1-2-11(19)17(5-8)6-10(18)13-4-3-9-14-7-15-16-9/h1-2,5,7H,3-4,6H2,(H,13,18)(H,14,15,16)
InChIKeyRNXGTAZDZJVIGR-UHFFFAOYSA-N
MW326.15 g/mol
LogP0.09
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64547769) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64547769
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H12BrN5O2/c12-8-1-2-11(19)17(5-8)6-10(18)13-4-3-9-14-7-15-16-9/h1-2,5,7H,3-4,6H2,(H,13,18)(H,14,15,16)
InChIKeyRNXGTAZDZJVIGR-UHFFFAOYSA-N
XLogP0.09
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546219
2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 55118532
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
CID 78815021
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenoxyethyl)acetamide
CID 51209692
(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006601
3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951719
2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64518365
2-(4-bromophenyl)sulfanyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546662
4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64530027
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64547769) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(Cn1cc(Br)ccc1=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is RNXGTAZDZJVIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c12-8-1-2-11(19)17(5-8)6-10(18)13-4-3-9-14-7-15-16-9/h1-2,5,7H,3-4,6H2,(H,13,18)(H,14,15,16).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 326.15 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64547769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).