3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide

C13H10Br2N2O — CID 113349571

IUPAC3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C13H10Br2N2O/c1-8-2-3-16-12(4-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,1H3,(H,16,17,18)
InChIKeyIVRLDFKQXRHDEQ-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.17
Rot. Bonds2

About 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide

3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 113349571) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID113349571
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C13H10Br2N2O/c1-8-2-3-16-12(4-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,1H3,(H,16,17,18)
InChIKeyIVRLDFKQXRHDEQ-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 35027407
4-bromo-2-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 47435797
N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 102674199
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride
CID 53352579
3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide (CID 113349571) is 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2cc(Br)cc(Br)c2)c1.
What is the InChIKey of 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is IVRLDFKQXRHDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c1-8-2-3-16-12(4-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,1H3,(H,16,17,18).
What are the key properties of 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide?
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 370.04 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 113349571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).