4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide

C14H13BrN2O — CID 113338779

IUPAC4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(C)c2)nc1
InChIInChI=1S/C14H13BrN2O/c1-9-3-6-13(16-8-9)17-14(18)11-4-5-12(15)10(2)7-11/h3-8H,1-2H3,(H,16,17,18)
InChIKeyCIWDDNGWAXREAE-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

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

4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 113338779) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID113338779
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(C)c2)nc1
InChIInChI=1S/C14H13BrN2O/c1-9-3-6-13(16-8-9)17-14(18)11-4-5-12(15)10(2)7-11/h3-8H,1-2H3,(H,16,17,18)
InChIKeyCIWDDNGWAXREAE-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113021535
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide (CID 113338779) is 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2ccc(Br)c(C)c2)nc1.
What is the InChIKey of 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is CIWDDNGWAXREAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-3-6-13(16-8-9)17-14(18)11-4-5-12(15)10(2)7-11/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide?
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 113338779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).