2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide

C22H23BrN4O — CID 56932484

IUPAC2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
SMILESO=C(NCCc1cccnc1)C(NCCc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN4O/c23-20-5-3-19(4-6-20)21(26-14-9-17-7-12-24-13-8-17)22(28)27-15-10-18-2-1-11-25-16-18/h1-8,11-13,16,21,26H,9-10,14-15H2,(H,27,28)
InChIKeySYJCFEIDKKVUMK-UHFFFAOYSA-N
MW439.36 g/mol
LogP3.47
Rot. Bonds9

About 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide

2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide (PubChem CID 56932484) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
PubChem CID56932484
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
SMILESO=C(NCCc1cccnc1)C(NCCc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN4O/c23-20-5-3-19(4-6-20)21(26-14-9-17-7-12-24-13-8-17)22(28)27-15-10-18-2-1-11-25-16-18/h1-8,11-13,16,21,26H,9-10,14-15H2,(H,27,28)
InChIKeySYJCFEIDKKVUMK-UHFFFAOYSA-N
XLogP3.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide
CID 87085101
2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932437
2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 56932438
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 56932488
2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56933401
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60914787
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide (CID 56932484) is 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide is O=C(NCCc1cccnc1)C(NCCc1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The InChIKey is SYJCFEIDKKVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c23-20-5-3-19(4-6-20)21(26-14-9-17-7-12-24-13-8-17)22(28)27-15-10-18-2-1-11-25-16-18/h1-8,11-13,16,21,26H,9-10,14-15H2,(H,27,28).
What are the key properties of 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide has a molecular weight of 439.36 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide is sourced from PubChem (CID 56932484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).