2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide

C21H21BrN4O — CID 56932438

IUPAC2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cccnc1)C(NCCc1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C21H21BrN4O/c22-19-7-1-6-18(12-19)20(25-11-8-16-4-2-9-23-13-16)21(27)26-15-17-5-3-10-24-14-17/h1-7,9-10,12-14,20,25H,8,11,15H2,(H,26,27)
InChIKeyOHBRWTXRRDMPSO-UHFFFAOYSA-N
MW425.33 g/mol
LogP3.43
Rot. Bonds8

About 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide

2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 56932438) has the molecular formula C21H21BrN4O and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID56932438
Molecular FormulaC21H21BrN4O
Molecular Weight425.33 g/mol
Exact Mass424.09
IUPAC Name2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cccnc1)C(NCCc1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C21H21BrN4O/c22-19-7-1-6-18(12-19)20(25-11-8-16-4-2-9-23-13-16)21(27)26-15-17-5-3-10-24-14-17/h1-7,9-10,12-14,20,25H,8,11,15H2,(H,26,27)
InChIKeyOHBRWTXRRDMPSO-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932437
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932484
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 56932488
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 66634712
2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide
CID 87085101
(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide (CID 56932438) is 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide is O=C(NCc1cccnc1)C(NCCc1cccnc1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is OHBRWTXRRDMPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O/c22-19-7-1-6-18(12-19)20(25-11-8-16-4-2-9-23-13-16)21(27)26-15-17-5-3-10-24-14-17/h1-7,9-10,12-14,20,25H,8,11,15H2,(H,26,27).
What are the key properties of 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 425.33 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 56932438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).