2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide

C12H16BrN3O3 — CID 78815021

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H16BrN3O3/c1-2-5-14-10(17)6-15-11(18)8-16-7-9(13)3-4-12(16)19/h3-4,7H,2,5-6,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyHRBFTEGQIUKLBH-UHFFFAOYSA-N
MW330.18 g/mol
LogP0.25
Rot. Bonds6

About 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide (PubChem CID 78815021) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
PubChem CID78815021
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H16BrN3O3/c1-2-5-14-10(17)6-15-11(18)8-16-7-9(13)3-4-12(16)19/h3-4,7H,2,5-6,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyHRBFTEGQIUKLBH-UHFFFAOYSA-N
XLogP0.25
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(methylamino)ethyl]acetamide
CID 119503564
(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
methyl 7-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]heptanoate
CID 86979311
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenoxyethyl)acetamide
CID 51209692
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64547769
4-[[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]-N-butylbenzamide
CID 78872433
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 37343566
2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide
CID 79194945
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-ethylphenyl)acetamide
CID 26051552
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid
CID 79792760

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide (CID 78815021) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide?
The InChIKey is HRBFTEGQIUKLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-2-5-14-10(17)6-15-11(18)8-16-7-9(13)3-4-12(16)19/h3-4,7H,2,5-6,8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide has a molecular weight of 330.18 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 78815021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).