4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H17BrN2O4 — CID 60810003

IUPAC4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17BrN2O4/c15-10-3-6-13(19)17(7-10)8-12(18)16-11-4-1-9(2-5-11)14(20)21/h3,6-7,9,11H,1-2,4-5,8H2,(H,16,18)(H,20,21)
InChIKeyWJQKUQYKPSJTCX-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.37
Rot. Bonds4

About 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60810003) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60810003
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17BrN2O4/c15-10-3-6-13(19)17(7-10)8-12(18)16-11-4-1-9(2-5-11)14(20)21/h3,6-7,9,11H,1-2,4-5,8H2,(H,16,18)(H,20,21)
InChIKeyWJQKUQYKPSJTCX-UHFFFAOYSA-N
XLogP1.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 60810003) is 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1cc(Br)ccc1=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WJQKUQYKPSJTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-10-3-6-13(19)17(7-10)8-12(18)16-11-4-1-9(2-5-11)14(20)21/h3,6-7,9,11H,1-2,4-5,8H2,(H,16,18)(H,20,21).
What are the key properties of 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 357.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).