3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide

C13H13BrN2O2S — CID 86822713

IUPAC3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1cc(Br)ccc1=O)NCc1cccs1
InChIInChI=1S/C13H13BrN2O2S/c14-10-3-4-13(18)16(9-10)6-5-12(17)15-8-11-2-1-7-19-11/h1-4,7,9H,5-6,8H2,(H,15,17)
InChIKeyIZPVZLYXCSXCMW-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.38
Rot. Bonds5

About 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide

3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 86822713) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID86822713
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1cc(Br)ccc1=O)NCc1cccs1
InChIInChI=1S/C13H13BrN2O2S/c14-10-3-4-13(18)16(9-10)6-5-12(17)15-8-11-2-1-7-19-11/h1-4,7,9H,5-6,8H2,(H,15,17)
InChIKeyIZPVZLYXCSXCMW-UHFFFAOYSA-N
XLogP2.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide
CID 86945175
3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 86903266
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 32753667
3-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 53298046
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide (CID 86822713) is 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCn1cc(Br)ccc1=O)NCc1cccs1.
What is the InChIKey of 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is IZPVZLYXCSXCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-10-3-4-13(18)16(9-10)6-5-12(17)15-8-11-2-1-7-19-11/h1-4,7,9H,5-6,8H2,(H,15,17).
What are the key properties of 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide?
3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 341.23 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 86822713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).