2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide

C17H18BrN3O3 — CID 87050372

IUPAC2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(C)n(CC(=O)NCc2cccc(Br)c2)c1=O
InChIInChI=1S/C17H18BrN3O3/c1-11-6-7-15(20-12(2)22)17(24)21(11)10-16(23)19-9-13-4-3-5-14(18)8-13/h3-8H,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyFIUOEYGCDIILGL-UHFFFAOYSA-N
MW392.25 g/mol
LogP2.19
Rot. Bonds5

About 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide

2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide (PubChem CID 87050372) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide
PubChem CID87050372
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(C)n(CC(=O)NCc2cccc(Br)c2)c1=O
InChIInChI=1S/C17H18BrN3O3/c1-11-6-7-15(20-12(2)22)17(24)21(11)10-16(23)19-9-13-4-3-5-14(18)8-13/h3-8H,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyFIUOEYGCDIILGL-UHFFFAOYSA-N
XLogP2.19
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-methyl-1-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]propanamide
CID 87050383
N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
CID 87050577
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 87050347
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 87050373
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide
CID 87050426
N-[(4-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
CID 87050566
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide
CID 20885262
N-[(3-bromophenyl)methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001112
N-[(3-bromophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054997
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[(3-bromophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368578
N-benzyl-2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 53161501

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide?
The IUPAC name of 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide (CID 87050372) is 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide is CC(=O)Nc1ccc(C)n(CC(=O)NCc2cccc(Br)c2)c1=O.
What is the InChIKey of 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide?
The InChIKey is FIUOEYGCDIILGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-11-6-7-15(20-12(2)22)17(24)21(11)10-16(23)19-9-13-4-3-5-14(18)8-13/h3-8H,9-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide?
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide has a molecular weight of 392.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide is sourced from PubChem (CID 87050372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).