5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide

C15H16BrN3O — CID 65311874

IUPAC5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C15H16BrN3O/c1-10-4-5-11(16)8-12(10)15(20)18-13-9-17-7-6-14(13)19(2)3/h4-9H,1-3H3,(H,18,20)
InChIKeyNZSTWYASGJOJOV-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.47
Rot. Bonds3

About 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide

5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide (PubChem CID 65311874) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
PubChem CID65311874
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C15H16BrN3O/c1-10-4-5-11(16)8-12(10)15(20)18-13-9-17-7-6-14(13)19(2)3/h4-9H,1-3H3,(H,18,20)
InChIKeyNZSTWYASGJOJOV-UHFFFAOYSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717969
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959
4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
CID 103924957
N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242957
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide (CID 65311874) is 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1cnccc1N(C)C.
What is the InChIKey of 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide?
The InChIKey is NZSTWYASGJOJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-4-5-11(16)8-12(10)15(20)18-13-9-17-7-6-14(13)19(2)3/h4-9H,1-3H3,(H,18,20).
What are the key properties of 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide?
5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide has a molecular weight of 334.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 65311874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).