4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

C18H20BrN3O2 — CID 109079869

IUPAC4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCC(C)C)c2)cc1Br
InChIInChI=1S/C18H20BrN3O2/c1-11(2)10-21-18(24)16-8-13(6-7-20-16)17(23)22-14-5-4-12(3)15(19)9-14/h4-9,11H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKLAAUFKKOYITQP-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.79
Rot. Bonds5

About 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079869) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079869
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCC(C)C)c2)cc1Br
InChIInChI=1S/C18H20BrN3O2/c1-11(2)10-21-18(24)16-8-13(6-7-20-16)17(23)22-14-5-4-12(3)15(19)9-14/h4-9,11H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKLAAUFKKOYITQP-UHFFFAOYSA-N
XLogP3.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089662
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079916
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077938
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248556
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (CID 109079869) is 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2ccnc(C(=O)NCC(C)C)c2)cc1Br.
What is the InChIKey of 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is KLAAUFKKOYITQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-11(2)10-21-18(24)16-8-13(6-7-20-16)17(23)22-14-5-4-12(3)15(19)9-14/h4-9,11H,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).