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

C14H13BrN2O — CID 79035679

IUPAC3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Br)c2C)ccn1
InChIInChI=1S/C14H13BrN2O/c1-9-8-11(6-7-16-9)17-14(18)12-4-3-5-13(15)10(12)2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyMNPVEBGDAYKCOV-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

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

3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 79035679) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
PubChem CID79035679
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Br)c2C)ccn1
InChIInChI=1S/C14H13BrN2O/c1-9-8-11(6-7-16-9)17-14(18)12-4-3-5-13(15)10(12)2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyMNPVEBGDAYKCOV-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

2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
N-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692738
2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
CID 154990210
3-bromo-N-(3-bromo-4-nitrophenyl)-2-methylbenzamide
CID 82865786
2-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240557

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide (CID 79035679) is 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide is Cc1cc(NC(=O)c2cccc(Br)c2C)ccn1.
What is the InChIKey of 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is MNPVEBGDAYKCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-8-11(6-7-16-9)17-14(18)12-4-3-5-13(15)10(12)2/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide?
3-bromo-2-methyl-N-(2-methyl-4-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 3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 79035679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).