N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide

C14H14BrN3O — CID 105367745

IUPACN-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C)cc2Br)c1
InChIInChI=1S/C14H14BrN3O/c1-9-6-13(15)14(16-8-9)18-12-5-3-4-11(7-12)17-10(2)19/h3-8H,1-2H3,(H,16,18)(H,17,19)
InChIKeyIYZVUUQZKZYTDE-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.85
Rot. Bonds3

About N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide

N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide (PubChem CID 105367745) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
PubChem CID105367745
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C)cc2Br)c1
InChIInChI=1S/C14H14BrN3O/c1-9-6-13(15)14(16-8-9)18-12-5-3-4-11(7-12)17-10(2)19/h3-8H,1-2H3,(H,16,18)(H,17,19)
InChIKeyIYZVUUQZKZYTDE-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
1-[3-[(5-amino-3-bromo-2-pyridinyl)amino]phenyl]ethanone
CID 93208856
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
CID 105368776
N-(3-methylphenyl)acetamide
CID 10843
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 105367590
6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109162684
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide (CID 105367745) is N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc(C)cc2Br)c1.
What is the InChIKey of N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide?
The InChIKey is IYZVUUQZKZYTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-6-13(15)14(16-8-9)18-12-5-3-4-11(7-12)17-10(2)19/h3-8H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide?
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide has a molecular weight of 320.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide is sourced from PubChem (CID 105367745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).