5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide

C17H18BrN3O2 — CID 46475612

IUPAC5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C17H18BrN3O2/c1-10(2)16(22)20-14-5-4-11(3)15(7-14)21-17(23)12-6-13(18)9-19-8-12/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeySSOPNVFZFIQCFP-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.00
Rot. Bonds4

About 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide

5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 46475612) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
PubChem CID46475612
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C17H18BrN3O2/c1-10(2)16(22)20-14-5-4-11(3)15(7-14)21-17(23)12-6-13(18)9-19-8-12/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeySSOPNVFZFIQCFP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 86991547
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
4-bromo-N-[3-[2-methyl-5-(2-methylpropanoylamino)anilino]-3-oxopropyl]benzamide
CID 46485893
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 46475945
N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55707973
3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
CID 46466063
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide (CID 46475612) is 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is SSOPNVFZFIQCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-10(2)16(22)20-14-5-4-11(3)15(7-14)21-17(23)12-6-13(18)9-19-8-12/h4-10H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide?
5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 376.25 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46475612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).