2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide

C12H17BrN2O3 — CID 111695748

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide
SMILESCC(O)CCN(C)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H17BrN2O3/c1-9(16)5-6-14(2)12(18)8-15-7-10(13)3-4-11(15)17/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyJCHCCBCRDUYOEY-UHFFFAOYSA-N
MW317.18 g/mol
LogP0.84
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide (PubChem CID 111695748) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide
PubChem CID111695748
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide
SMILESCC(O)CCN(C)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H17BrN2O3/c1-9(16)5-6-14(2)12(18)8-15-7-10(13)3-4-11(15)17/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyJCHCCBCRDUYOEY-UHFFFAOYSA-N
XLogP0.84
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
CID 43406961
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9320325
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid
CID 119203160
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propylamino]acetic acid
CID 61008473
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 112788534
ethyl (2S)-2-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]oxypropanoate
CID 75494413
ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
CID 82777495
3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide
CID 66309112
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 55403134
(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006601
2-(3-bromophenoxy)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691544
3-[methyl-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 119232404

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide (CID 111695748) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide is CC(O)CCN(C)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide?
The InChIKey is JCHCCBCRDUYOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-9(16)5-6-14(2)12(18)8-15-7-10(13)3-4-11(15)17/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide has a molecular weight of 317.18 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxybutyl)-N-methylacetamide is sourced from PubChem (CID 111695748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).