3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H17BrN2O4 — CID 63043832

IUPAC3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H17BrN2O4/c15-10-4-5-13(19)17(7-10)8-12(18)16-11-3-1-2-9(6-11)14(20)21/h4-5,7,9,11H,1-3,6,8H2,(H,16,18)(H,20,21)
InChIKeyODJNQUDDHDFBPB-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.37
Rot. Bonds4

About 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63043832) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63043832
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H17BrN2O4/c15-10-4-5-13(19)17(7-10)8-12(18)16-11-3-1-2-9(6-11)14(20)21/h4-5,7,9,11H,1-3,6,8H2,(H,16,18)(H,20,21)
InChIKeyODJNQUDDHDFBPB-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

Analyze 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43132366
7-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]heptanoic acid
CID 43359018
3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55146724
4-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810003
2-[1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid
CID 62689220
3-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63042033
3-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 63044196
6-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylhexanoic acid
CID 64366930
2-[1-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid
CID 64672971
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64814157
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64814316
7-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 65522134

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 63043832) is 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1cc(Br)ccc1=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ODJNQUDDHDFBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-10-4-5-13(19)17(7-10)8-12(18)16-11-3-1-2-9(6-11)14(20)21/h4-5,7,9,11H,1-3,6,8H2,(H,16,18)(H,20,21).
What are the key properties of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
3-[[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 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).