2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide

C14H20BrN3O3 — CID 153294769

IUPAC2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide
SMILESCn1cc(Br)c(OC2CCC(NC(=O)CN)CC2)cc1=O
InChIInChI=1S/C14H20BrN3O3/c1-18-8-11(15)12(6-14(18)20)21-10-4-2-9(3-5-10)17-13(19)7-16/h6,8-10H,2-5,7,16H2,1H3,(H,17,19)
InChIKeyUPNYSCVICHYDLS-UHFFFAOYSA-N
MW358.24 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide

2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide (PubChem CID 153294769) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide
PubChem CID153294769
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide
SMILESCn1cc(Br)c(OC2CCC(NC(=O)CN)CC2)cc1=O
InChIInChI=1S/C14H20BrN3O3/c1-18-8-11(15)12(6-14(18)20)21-10-4-2-9(3-5-10)17-13(19)7-16/h6,8-10H,2-5,7,16H2,1H3,(H,17,19)
InChIKeyUPNYSCVICHYDLS-UHFFFAOYSA-N
XLogP0.91
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide?
The IUPAC name of 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide (CID 153294769) is 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide is Cn1cc(Br)c(OC2CCC(NC(=O)CN)CC2)cc1=O.
What is the InChIKey of 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide?
The InChIKey is UPNYSCVICHYDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-18-8-11(15)12(6-14(18)20)21-10-4-2-9(3-5-10)17-13(19)7-16/h6,8-10H,2-5,7,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide?
2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide has a molecular weight of 358.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetamide is sourced from PubChem (CID 153294769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).