2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide

C15H16BrN3O — CID 115268555

IUPAC2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide
SMILESCNc1ccc(N(C)C(=O)Cc2cccc(Br)c2)cn1
InChIInChI=1S/C15H16BrN3O/c1-17-14-7-6-13(10-18-14)19(2)15(20)9-11-4-3-5-12(16)8-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyGHHKHJCANCAMTA-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.09
Rot. Bonds4

About 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide

2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide (PubChem CID 115268555) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide
PubChem CID115268555
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide
SMILESCNc1ccc(N(C)C(=O)Cc2cccc(Br)c2)cn1
InChIInChI=1S/C15H16BrN3O/c1-17-14-7-6-13(10-18-14)19(2)15(20)9-11-4-3-5-12(16)8-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyGHHKHJCANCAMTA-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735949
N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 55046295
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483
2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024286
2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039952
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide (CID 115268555) is 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide is CNc1ccc(N(C)C(=O)Cc2cccc(Br)c2)cn1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide?
The InChIKey is GHHKHJCANCAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-17-14-7-6-13(10-18-14)19(2)15(20)9-11-4-3-5-12(16)8-11/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide?
2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide has a molecular weight of 334.22 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 115268555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).