2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide

C18H22BrN3O — CID 113015385

IUPAC2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide
SMILESCCCCN(C)c1ccc(NC(=O)Cc2ccccc2Br)cn1
InChIInChI=1S/C18H22BrN3O/c1-3-4-11-22(2)17-10-9-15(13-20-17)21-18(23)12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyDDWXXVCSHLZNIW-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.26
Rot. Bonds7

About 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide

2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide (PubChem CID 113015385) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide
PubChem CID113015385
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide
SMILESCCCCN(C)c1ccc(NC(=O)Cc2ccccc2Br)cn1
InChIInChI=1S/C18H22BrN3O/c1-3-4-11-22(2)17-10-9-15(13-20-17)21-18(23)12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyDDWXXVCSHLZNIW-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
CID 113015333
2-(2-bromophenyl)-N-[6-(ethylamino)-3-pyridinyl]acetamide
CID 115268604
2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024287
N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113015372
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113015387
2-(4-bromophenyl)-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 113015729
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156545
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
CID 113016501
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide (CID 113015385) is 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide is CCCCN(C)c1ccc(NC(=O)Cc2ccccc2Br)cn1.
What is the InChIKey of 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide?
The InChIKey is DDWXXVCSHLZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-3-4-11-22(2)17-10-9-15(13-20-17)21-18(23)12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide?
2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide has a molecular weight of 376.30 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 113015385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).