3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

C18H20BrN3O2 — CID 109106817

IUPAC3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H20BrN3O2/c1-4-22(5-2)18(24)14-9-13(10-20-11-14)17(23)21-15-6-7-16(19)12(3)8-15/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyRTZSJMAGAKNOGW-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.89
Rot. Bonds5

About 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (PubChem CID 109106817) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
PubChem CID109106817
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H20BrN3O2/c1-4-22(5-2)18(24)14-9-13(10-20-11-14)17(23)21-15-6-7-16(19)12(3)8-15/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyRTZSJMAGAKNOGW-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide 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

3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106769
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239465
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
3-N-(2,3-dimethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106753
N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241057
3-N-(3-methylphenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107576
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194687

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (CID 109106817) is 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is CCN(CC)C(=O)c1cncc(C(=O)Nc2ccc(Br)c(C)c2)c1.
What is the InChIKey of 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The InChIKey is RTZSJMAGAKNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-4-22(5-2)18(24)14-9-13(10-20-11-14)17(23)21-15-6-7-16(19)12(3)8-15/h6-11H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).