2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide

C11H13BrN2O3 — CID 115764818

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NC1(CO)CC1
InChIInChI=1S/C11H13BrN2O3/c12-8-1-2-10(17)14(5-8)6-9(16)13-11(7-15)3-4-11/h1-2,5,15H,3-4,6-7H2,(H,13,16)
InChIKeyLDYKZCMKJXUUQV-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.25
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide (PubChem CID 115764818) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
PubChem CID115764818
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NC1(CO)CC1
InChIInChI=1S/C11H13BrN2O3/c12-8-1-2-10(17)14(5-8)6-9(16)13-11(7-15)3-4-11/h1-2,5,15H,3-4,6-7H2,(H,13,16)
InChIKeyLDYKZCMKJXUUQV-UHFFFAOYSA-N
XLogP0.25
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-oxo-1-pyridinyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 106296688
(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750807
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-cyanoacetamide
CID 79194945
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414346
(2S)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61144242
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenoxyethyl)acetamide
CID 51209692
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63652158
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006601
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-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide (CID 115764818) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide is O=C(Cn1cc(Br)ccc1=O)NC1(CO)CC1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The InChIKey is LDYKZCMKJXUUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-8-1-2-10(17)14(5-8)6-9(16)13-11(7-15)3-4-11/h1-2,5,15H,3-4,6-7H2,(H,13,16).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide has a molecular weight of 301.14 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 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-[1-(hydroxymethyl)cyclopropyl]acetamide is sourced from PubChem (CID 115764818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).