N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide

C15H15BrN2O2 — CID 115274344

IUPACN-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cc(Br)ccn2)cc1C
InChIInChI=1S/C15H15BrN2O2/c1-10-8-11(4-5-13(10)20-3)15(19)18(2)14-9-12(16)6-7-17-14/h4-9H,1-3H3
InChIKeyDSWJSFIWJBGIHU-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.44
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide

N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide (PubChem CID 115274344) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide
PubChem CID115274344
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cc(Br)ccn2)cc1C
InChIInChI=1S/C15H15BrN2O2/c1-10-8-11(4-5-13(10)20-3)15(19)18(2)14-9-12(16)6-7-17-14/h4-9H,1-3H3
InChIKeyDSWJSFIWJBGIHU-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 115274358
(4-bromo-2-pyridinyl)-methylcarbamic acid
CID 68656827
N-(5-bromo-2-pyridinyl)-2-methoxy-N,5-dimethylbenzamide
CID 115274114
N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 115274377
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106935938
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148484
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide (CID 115274344) is N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide is COc1ccc(C(=O)N(C)c2cc(Br)ccn2)cc1C.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide?
The InChIKey is DSWJSFIWJBGIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-8-11(4-5-13(10)20-3)15(19)18(2)14-9-12(16)6-7-17-14/h4-9H,1-3H3.
What are the key properties of N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide?
N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide is sourced from PubChem (CID 115274344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).