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

C20H19BrN4O — CID 142791812

IUPAC2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide
SMILESNC(=O)C(c1ccc(Br)cc1)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C20H19BrN4O/c21-18-7-5-17(6-8-18)19(20(22)26)25(13-15-3-1-9-23-11-15)14-16-4-2-10-24-12-16/h1-12,19H,13-14H2,(H2,22,26)
InChIKeyJWYVKLHBLBFWRJ-UHFFFAOYSA-N
MW411.30 g/mol
LogP3.47
Rot. Bonds7

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

2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide (PubChem CID 142791812) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide
PubChem CID142791812
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide
SMILESNC(=O)C(c1ccc(Br)cc1)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C20H19BrN4O/c21-18-7-5-17(6-8-18)19(20(22)26)25(13-15-3-1-9-23-11-15)14-16-4-2-10-24-12-16/h1-12,19H,13-14H2,(H2,22,26)
InChIKeyJWYVKLHBLBFWRJ-UHFFFAOYSA-N
XLogP3.47
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142791990
(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide
CID 142792081
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792019
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437
1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine
CID 14750815
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 79705171
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842

Frequently Asked Questions

What is the IUPAC name of 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide?
The IUPAC name of 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide (CID 142791812) is 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide is NC(=O)C(c1ccc(Br)cc1)N(Cc1cccnc1)Cc1cccnc1.
What is the InChIKey of 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide?
The InChIKey is JWYVKLHBLBFWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c21-18-7-5-17(6-8-18)19(20(22)26)25(13-15-3-1-9-23-11-15)14-16-4-2-10-24-12-16/h1-12,19H,13-14H2,(H2,22,26).
What are the key properties of 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide?
2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide has a molecular weight of 411.30 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 142791812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).