2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide

C20H18BrN3O — CID 113016501

IUPAC2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
SMILESCN(c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C20H18BrN3O/c1-24(18-5-3-2-4-6-18)19-12-11-17(14-22-19)23-20(25)13-15-7-9-16(21)10-8-15/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyFIUCSBBHJIUDEM-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide

2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide (PubChem CID 113016501) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
PubChem CID113016501
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
SMILESCN(c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C20H18BrN3O/c1-24(18-5-3-2-4-6-18)19-12-11-17(14-22-19)23-20(25)13-15-7-9-16(21)10-8-15/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyFIUCSBBHJIUDEM-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(N-methylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113016495
2-(4-bromophenyl)-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 113015729
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937
2-(4-acetamidophenyl)-N-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 30295273
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 103789943
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
CID 113033886
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-[6-(diethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113014581

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide (CID 113016501) is 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide is CN(c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)cc2)cn1.
What is the InChIKey of 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide?
The InChIKey is FIUCSBBHJIUDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-24(18-5-3-2-4-6-18)19-12-11-17(14-22-19)23-20(25)13-15-7-9-16(21)10-8-15/h2-12,14H,13H2,1H3,(H,23,25).
What are the key properties of 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide?
2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide has a molecular weight of 396.29 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113016501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).