3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C17H18BrN3O2 — CID 109101453

IUPAC3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)cc1Br
InChIInChI=1S/C17H18BrN3O2/c1-10(2)20-16(22)12-6-13(9-19-8-12)17(23)21-14-5-4-11(3)15(18)7-14/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeyXKDQIDUIPYZVIV-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.54
Rot. Bonds4

About 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 109101453) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID109101453
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)cc1Br
InChIInChI=1S/C17H18BrN3O2/c1-10(2)20-16(22)12-6-13(9-19-8-12)17(23)21-14-5-4-11(3)15(18)7-14/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeyXKDQIDUIPYZVIV-UHFFFAOYSA-N
XLogP3.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101520
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101470
3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101490
5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223324
N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241057
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-bromo-4-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224270
3-N-(2,3-dimethylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101427
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 109101453) is 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is Cc1ccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)cc1Br.
What is the InChIKey of 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is XKDQIDUIPYZVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-10(2)20-16(22)12-6-13(9-19-8-12)17(23)21-14-5-4-11(3)15(18)7-14/h4-10H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 376.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).