methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate

C15H19BrN2O4 — CID 47028195

IUPACmethyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cn2cc(Br)ccc2=O)CCCCC1
InChIInChI=1S/C15H19BrN2O4/c1-22-14(21)15(7-3-2-4-8-15)17-12(19)10-18-9-11(16)5-6-13(18)20/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyRCKKOIJLMATOJZ-UHFFFAOYSA-N
MW371.23 g/mol
LogP1.60
Rot. Bonds4

About methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate

methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 47028195) has the molecular formula C15H19BrN2O4 and a molecular weight of 371.23 g/mol. Its IUPAC name is methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID47028195
Molecular FormulaC15H19BrN2O4
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC Namemethyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cn2cc(Br)ccc2=O)CCCCC1
InChIInChI=1S/C15H19BrN2O4/c1-22-14(21)15(7-3-2-4-8-15)17-12(19)10-18-9-11(16)5-6-13(18)20/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyRCKKOIJLMATOJZ-UHFFFAOYSA-N
XLogP1.60
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate (CID 47028195) is methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)Cn2cc(Br)ccc2=O)CCCCC1.
What is the InChIKey of methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is RCKKOIJLMATOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4/c1-22-14(21)15(7-3-2-4-8-15)17-12(19)10-18-9-11(16)5-6-13(18)20/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,19).
What are the key properties of methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 371.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 47028195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).