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

C22H23BrN4O — CID 56932437

IUPAC2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
SMILESO=C(NCCc1ccncc1)C(NCCc1ccncc1)c1cccc(Br)c1
InChIInChI=1S/C22H23BrN4O/c23-20-3-1-2-19(16-20)21(26-14-8-17-4-10-24-11-5-17)22(28)27-15-9-18-6-12-25-13-7-18/h1-7,10-13,16,21,26H,8-9,14-15H2,(H,27,28)
InChIKeyVBKYNLWXNBKUBM-UHFFFAOYSA-N
MW439.36 g/mol
LogP3.47
Rot. Bonds9

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

2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide (PubChem CID 56932437) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
PubChem CID56932437
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
SMILESO=C(NCCc1ccncc1)C(NCCc1ccncc1)c1cccc(Br)c1
InChIInChI=1S/C22H23BrN4O/c23-20-3-1-2-19(16-20)21(26-14-8-17-4-10-24-11-5-17)22(28)27-15-9-18-6-12-25-13-7-18/h1-7,10-13,16,21,26H,8-9,14-15H2,(H,27,28)
InChIKeyVBKYNLWXNBKUBM-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-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 56932438
2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932484
2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56933401
1-[2-(3-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108901652
4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine
CID 66666079
2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide
CID 87085101
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-(2-chloro-4-methylanilino)-2-(3-methoxyphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 11315821
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide
CID 91777267
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide (CID 56932437) is 2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide is O=C(NCCc1ccncc1)C(NCCc1ccncc1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The InChIKey is VBKYNLWXNBKUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c23-20-3-1-2-19(16-20)21(26-14-8-17-4-10-24-11-5-17)22(28)27-15-9-18-6-12-25-13-7-18/h1-7,10-13,16,21,26H,8-9,14-15H2,(H,27,28).
What are the key properties of 2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
2-(3-bromophenyl)-N-(2-pyridin-4-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-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide is sourced from PubChem (CID 56932437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).