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

C16H17BrN2O3 — CID 35027407

IUPAC3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cc(C)ccn2)cc1OC
InChIInChI=1S/C16H17BrN2O3/c1-4-22-15-12(17)8-11(9-13(15)21-3)16(20)19-14-7-10(2)5-6-18-14/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyXQTFKTYDFHTCGY-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.81
Rot. Bonds5

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

3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 35027407) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID35027407
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cc(C)ccn2)cc1OC
InChIInChI=1S/C16H17BrN2O3/c1-4-22-15-12(17)8-11(9-13(15)21-3)16(20)19-14-7-10(2)5-6-18-14/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyXQTFKTYDFHTCGY-UHFFFAOYSA-N
XLogP3.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4814407
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55834113
3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259896
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
4-bromo-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 78988670
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide (CID 35027407) is 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide is CCOc1c(Br)cc(C(=O)Nc2cc(C)ccn2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is XQTFKTYDFHTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-4-22-15-12(17)8-11(9-13(15)21-3)16(20)19-14-7-10(2)5-6-18-14/h5-9H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 365.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35027407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).