2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide

C14H19BrN2O3 — CID 111425720

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCC(O)C1CCCC1
InChIInChI=1S/C14H19BrN2O3/c15-11-5-6-14(20)17(8-11)9-13(19)16-7-12(18)10-3-1-2-4-10/h5-6,8,10,12,18H,1-4,7,9H2,(H,16,19)
InChIKeyADFWRBKQOKDGRB-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.28
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide (PubChem CID 111425720) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
PubChem CID111425720
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCC(O)C1CCCC1
InChIInChI=1S/C14H19BrN2O3/c15-11-5-6-14(20)17(8-11)9-13(19)16-7-12(18)10-3-1-2-4-10/h5-6,8,10,12,18H,1-4,7,9H2,(H,16,19)
InChIKeyADFWRBKQOKDGRB-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
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-(2-cyclopentyl-2-hydroxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide (CID 111425720) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide is O=C(Cn1cc(Br)ccc1=O)NCC(O)C1CCCC1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide?
The InChIKey is ADFWRBKQOKDGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-11-5-6-14(20)17(8-11)9-13(19)16-7-12(18)10-3-1-2-4-10/h5-6,8,10,12,18H,1-4,7,9H2,(H,16,19).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide has a molecular weight of 343.22 g/mol, XLogP of 1.28, 5 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-(2-cyclopentyl-2-hydroxyethyl)acetamide is sourced from PubChem (CID 111425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).