N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide

C15H16BrN3O — CID 133313355

IUPACN-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C15H16BrN3O/c1-10-8-12(16)6-7-13(10)19-15(20)9-17-14-5-3-4-11(2)18-14/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKRYTXKOGDFUUMI-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.51
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide (PubChem CID 133313355) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
PubChem CID133313355
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C15H16BrN3O/c1-10-8-12(16)6-7-13(10)19-15(20)9-17-14-5-3-4-11(2)18-14/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKRYTXKOGDFUUMI-UHFFFAOYSA-N
XLogP3.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 47075434
N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide
CID 133382429
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 32680618
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267494
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 112802306
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide
CID 31585343
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide (CID 133313355) is N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide is Cc1cccc(NCC(=O)Nc2ccc(Br)cc2C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide?
The InChIKey is KRYTXKOGDFUUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-8-12(16)6-7-13(10)19-15(20)9-17-14-5-3-4-11(2)18-14/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide has a molecular weight of 334.22 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 133313355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).