2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

C13H19BrN2O3 — CID 62521205

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-3-13(4-2,9-17)15-11(18)8-16-7-10(14)5-6-12(16)19/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyCNYYUSKEQHGMQT-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.28
Rot. Bonds6

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (PubChem CID 62521205) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
PubChem CID62521205
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-3-13(4-2,9-17)15-11(18)8-16-7-10(14)5-6-12(16)19/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyCNYYUSKEQHGMQT-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (CID 62521205) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is CCC(CC)(CO)NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The InChIKey is CNYYUSKEQHGMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-3-13(4-2,9-17)15-11(18)8-16-7-10(14)5-6-12(16)19/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide has a molecular weight of 331.21 g/mol, XLogP of 1.28, 6 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-[3-(hydroxymethyl)pentan-3-yl]acetamide is sourced from PubChem (CID 62521205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).