N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C25H23BrClN5O3 — CID 169094899

IUPACN-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(OCCN(C)C)c(Br)cn4)cc3)c(Cl)c2)no1
InChIInChI=1S/C25H23BrClN5O3/c1-15-29-24(31-35-15)18-8-9-19(21(27)12-18)16-4-6-17(7-5-16)25(33)30-23-13-22(20(26)14-28-23)34-11-10-32(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,28,30,33)
InChIKeyQVWABOCPMMJQAV-UHFFFAOYSA-N
MW556.85 g/mol
LogP5.72
Rot. Bonds8

About N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 169094899) has the molecular formula C25H23BrClN5O3 and a molecular weight of 556.85 g/mol. Its IUPAC name is N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID169094899
Molecular FormulaC25H23BrClN5O3
Molecular Weight556.85 g/mol
Exact Mass555.07
IUPAC NameN-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(OCCN(C)C)c(Br)cn4)cc3)c(Cl)c2)no1
InChIInChI=1S/C25H23BrClN5O3/c1-15-29-24(31-35-15)18-8-9-19(21(27)12-18)16-4-6-17(7-5-16)25(33)30-23-13-22(20(26)14-28-23)34-11-10-32(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,28,30,33)
InChIKeyQVWABOCPMMJQAV-UHFFFAOYSA-N
XLogP5.72
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.85
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 169094899) is N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(OCCN(C)C)c(Br)cn4)cc3)c(Cl)c2)no1.
What is the InChIKey of N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is QVWABOCPMMJQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrClN5O3/c1-15-29-24(31-35-15)18-8-9-19(21(27)12-18)16-4-6-17(7-5-16)25(33)30-23-13-22(20(26)14-28-23)34-11-10-32(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,28,30,33).
What are the key properties of N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 556.85 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 169094899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).