2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide

C20H18BrN3O — CID 113031585

IUPAC2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
SMILESCc1ccc(Nc2ccc(NC(=O)Cc3ccccc3Br)nc2)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-6-8-16(9-7-14)23-17-10-11-19(22-13-17)24-20(25)12-15-4-2-3-5-18(15)21/h2-11,13,23H,12H2,1H3,(H,22,24,25)
InChIKeyURAWSLCFMCTUEF-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.08
Rot. Bonds5

About 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide

2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide (PubChem CID 113031585) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
PubChem CID113031585
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
SMILESCc1ccc(Nc2ccc(NC(=O)Cc3ccccc3Br)nc2)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-6-8-16(9-7-14)23-17-10-11-19(22-13-17)24-20(25)12-15-4-2-3-5-18(15)21/h2-11,13,23H,12H2,1H3,(H,22,24,25)
InChIKeyURAWSLCFMCTUEF-UHFFFAOYSA-N
XLogP5.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045862
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024287
2-(2-bromophenyl)-N-[6-(ethylamino)-3-pyridinyl]acetamide
CID 115268604
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113035538
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
CID 113033886
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113037616
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide (CID 113031585) is 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide is Cc1ccc(Nc2ccc(NC(=O)Cc3ccccc3Br)nc2)cc1.
What is the InChIKey of 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide?
The InChIKey is URAWSLCFMCTUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-6-8-16(9-7-14)23-17-10-11-19(22-13-17)24-20(25)12-15-4-2-3-5-18(15)21/h2-11,13,23H,12H2,1H3,(H,22,24,25).
What are the key properties of 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide?
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide has a molecular weight of 396.29 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113031585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).