3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide

C13H16BrN5O2 — CID 60559275

IUPAC3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCCn1cnnc1CNC(=O)CCn1cc(Br)ccc1=O
InChIInChI=1S/C13H16BrN5O2/c1-2-18-9-16-17-11(18)7-15-12(20)5-6-19-8-10(14)3-4-13(19)21/h3-4,8-9H,2,5-7H2,1H3,(H,15,20)
InChIKeyAMFXCUIIMPXCDY-UHFFFAOYSA-N
MW354.21 g/mol
LogP0.93
Rot. Bonds6

About 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide

3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 60559275) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID60559275
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCCn1cnnc1CNC(=O)CCn1cc(Br)ccc1=O
InChIInChI=1S/C13H16BrN5O2/c1-2-18-9-16-17-11(18)7-15-12(20)5-6-19-8-10(14)3-4-13(19)21/h3-4,8-9H,2,5-7H2,1H3,(H,15,20)
InChIKeyAMFXCUIIMPXCDY-UHFFFAOYSA-N
XLogP0.93
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 60559275) is 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide is CCn1cnnc1CNC(=O)CCn1cc(Br)ccc1=O.
What is the InChIKey of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is AMFXCUIIMPXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c1-2-18-9-16-17-11(18)7-15-12(20)5-6-19-8-10(14)3-4-13(19)21/h3-4,8-9H,2,5-7H2,1H3,(H,15,20).
What are the key properties of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 354.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 60559275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).