5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one

C15H25BrN2O — CID 83133309

IUPAC5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one
SMILESCc1cc(Br)cn(CCNC(C)CCC(C)C)c1=O
InChIInChI=1S/C15H25BrN2O/c1-11(2)5-6-13(4)17-7-8-18-10-14(16)9-12(3)15(18)19/h9-11,13,17H,5-8H2,1-4H3
InChIKeyUKXZZLUKANXLQL-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.33
Rot. Bonds7

About 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one

5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one (PubChem CID 83133309) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one
PubChem CID83133309
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one
SMILESCc1cc(Br)cn(CCNC(C)CCC(C)C)c1=O
InChIInChI=1S/C15H25BrN2O/c1-11(2)5-6-13(4)17-7-8-18-10-14(16)9-12(3)15(18)19/h9-11,13,17H,5-8H2,1-4H3
InChIKeyUKXZZLUKANXLQL-UHFFFAOYSA-N
XLogP3.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one (CID 83133309) is 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one is Cc1cc(Br)cn(CCNC(C)CCC(C)C)c1=O.
What is the InChIKey of 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one?
The InChIKey is UKXZZLUKANXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-11(2)5-6-13(4)17-7-8-18-10-14(16)9-12(3)15(18)19/h9-11,13,17H,5-8H2,1-4H3.
What are the key properties of 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one?
5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one has a molecular weight of 329.28 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 83133309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).