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

C14H17BrN2O4 — CID 43132366

IUPAC1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17BrN2O4/c15-10-4-5-12(19)17(8-10)9-11(18)16-14(13(20)21)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,18)(H,20,21)
InChIKeyKCQMZZDMBSORQM-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.51
Rot. Bonds4

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

1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43132366) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43132366
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17BrN2O4/c15-10-4-5-12(19)17(8-10)9-11(18)16-14(13(20)21)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,18)(H,20,21)
InChIKeyKCQMZZDMBSORQM-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[2-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 71942702
1-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350918
Methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
CID 71845332
1-(2-Oxo-1,2-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24691617
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
1-(6-Oxo-1,6-dihydropyridine-2-carboxamido)cyclohexane-1-carboxylic acid
CID 57672867
1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 143504604
1-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43169520
1-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351362
7-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]heptanoic acid
CID 43359018
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid
CID 43469831
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoic acid
CID 43618878

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 43132366) is 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1cc(Br)ccc1=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KCQMZZDMBSORQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-10-4-5-12(19)17(8-10)9-11(18)16-14(13(20)21)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,18)(H,20,21).
What are the key properties of 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 357.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43132366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).