2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one

C14H15BrN2O — CID 91141491

IUPAC2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one
SMILESCc1c(N)[nH]c(CCc2cccc(Br)c2)cc1=O
InChIInChI=1S/C14H15BrN2O/c1-9-13(18)8-12(17-14(9)16)6-5-10-3-2-4-11(15)7-10/h2-4,7-8H,5-6H2,1H3,(H3,16,17,18)
InChIKeyZONWQBXBJKNRBP-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.81
Rot. Bonds3

About 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one

2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one (PubChem CID 91141491) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one
PubChem CID91141491
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one
SMILESCc1c(N)[nH]c(CCc2cccc(Br)c2)cc1=O
InChIInChI=1S/C14H15BrN2O/c1-9-13(18)8-12(17-14(9)16)6-5-10-3-2-4-11(15)7-10/h2-4,7-8H,5-6H2,1H3,(H3,16,17,18)
InChIKeyZONWQBXBJKNRBP-UHFFFAOYSA-N
XLogP2.81
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 135966949

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one?
The IUPAC name of 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one (CID 91141491) is 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one is Cc1c(N)[nH]c(CCc2cccc(Br)c2)cc1=O.
What is the InChIKey of 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one?
The InChIKey is ZONWQBXBJKNRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-13(18)8-12(17-14(9)16)6-5-10-3-2-4-11(15)7-10/h2-4,7-8H,5-6H2,1H3,(H3,16,17,18).
What are the key properties of 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one?
2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one has a molecular weight of 307.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 91141491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).