2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide

C16H23BrN2O4 — CID 146090058

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide
SMILESCCOC1CC(O)(CNC(=O)Cn2cc(Br)ccc2=O)C1(C)C
InChIInChI=1S/C16H23BrN2O4/c1-4-23-12-7-16(22,15(12,2)3)10-18-13(20)9-19-8-11(17)5-6-14(19)21/h5-6,8,12,22H,4,7,9-10H2,1-3H3,(H,18,20)
InChIKeyPHBMHDHSSVRIBC-UHFFFAOYSA-N
MW387.27 g/mol
LogP1.29
Rot. Bonds6

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide (PubChem CID 146090058) has the molecular formula C16H23BrN2O4 and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide
PubChem CID146090058
Molecular FormulaC16H23BrN2O4
Molecular Weight387.27 g/mol
Exact Mass386.08
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide
SMILESCCOC1CC(O)(CNC(=O)Cn2cc(Br)ccc2=O)C1(C)C
InChIInChI=1S/C16H23BrN2O4/c1-4-23-12-7-16(22,15(12,2)3)10-18-13(20)9-19-8-11(17)5-6-14(19)21/h5-6,8,12,22H,4,7,9-10H2,1-3H3,(H,18,20)
InChIKeyPHBMHDHSSVRIBC-UHFFFAOYSA-N
XLogP1.29
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide (CID 146090058) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide is CCOC1CC(O)(CNC(=O)Cn2cc(Br)ccc2=O)C1(C)C.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide?
The InChIKey is PHBMHDHSSVRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O4/c1-4-23-12-7-16(22,15(12,2)3)10-18-13(20)9-19-8-11(17)5-6-14(19)21/h5-6,8,12,22H,4,7,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide has a molecular weight of 387.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 146090058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).