2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide

C22H23BrN4O — CID 142792081

IUPAC2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide
SMILESNC(=O)C(c1cccc(Br)c1)N(CCc1ccncc1)CCc1cccnc1
InChIInChI=1S/C22H23BrN4O/c23-20-5-1-4-19(15-20)21(22(24)28)27(13-8-17-6-11-25-12-7-17)14-9-18-3-2-10-26-16-18/h1-7,10-12,15-16,21H,8-9,13-14H2,(H2,24,28)
InChIKeyWQAFDEGUKSZJSO-UHFFFAOYSA-N
MW439.36 g/mol
LogP3.55
Rot. Bonds9

About 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide

2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide (PubChem CID 142792081) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide
PubChem CID142792081
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide
SMILESNC(=O)C(c1cccc(Br)c1)N(CCc1ccncc1)CCc1cccnc1
InChIInChI=1S/C22H23BrN4O/c23-20-5-1-4-19(15-20)21(22(24)28)27(13-8-17-6-11-25-12-7-17)14-9-18-3-2-10-26-16-18/h1-7,10-12,15-16,21H,8-9,13-14H2,(H2,24,28)
InChIKeyWQAFDEGUKSZJSO-UHFFFAOYSA-N
XLogP3.55
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142791990
2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide
CID 142791812
2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide
CID 142792696
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945
2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 56932438
2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide
CID 142792605
4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine
CID 66666079
2-(3-bromophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 75435987
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide?
The IUPAC name of 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide (CID 142792081) is 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide is NC(=O)C(c1cccc(Br)c1)N(CCc1ccncc1)CCc1cccnc1.
What is the InChIKey of 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide?
The InChIKey is WQAFDEGUKSZJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c23-20-5-1-4-19(15-20)21(22(24)28)27(13-8-17-6-11-25-12-7-17)14-9-18-3-2-10-26-16-18/h1-7,10-12,15-16,21H,8-9,13-14H2,(H2,24,28).
What are the key properties of 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide?
2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide has a molecular weight of 439.36 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide is sourced from PubChem (CID 142792081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).