2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C17H18BrN3O — CID 113009839

IUPAC2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H18BrN3O/c18-15-6-2-1-5-13(15)11-17(22)20-14-7-8-16(19-12-14)21-9-3-4-10-21/h1-2,5-8,12H,3-4,9-11H2,(H,20,22)
InChIKeyBGEAJNPNEFPFFE-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.63
Rot. Bonds4

About 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 113009839) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID113009839
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H18BrN3O/c18-15-6-2-1-5-13(15)11-17(22)20-14-7-8-16(19-12-14)21-9-3-4-10-21/h1-2,5-8,12H,3-4,9-11H2,(H,20,22)
InChIKeyBGEAJNPNEFPFFE-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 34080362
2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 17460529
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
2-(2-bromophenyl)-N-[6-(ethylamino)-3-pyridinyl]acetamide
CID 115268604
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
CID 65302404
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 113009839) is 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is O=C(Cc1ccccc1Br)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is BGEAJNPNEFPFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-15-6-2-1-5-13(15)11-17(22)20-14-7-8-16(19-12-14)21-9-3-4-10-21/h1-2,5-8,12H,3-4,9-11H2,(H,20,22).
What are the key properties of 2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 360.26 g/mol, XLogP of 3.63, 4 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-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 113009839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).