N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide

C15H15BrN2O4 — CID 127109293

IUPACN-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Br)ccn2)cc(OC)c1OC
InChIInChI=1S/C15H15BrN2O4/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)18-13-8-10(16)4-5-17-13/h4-8H,1-3H3,(H,17,18,19)
InChIKeyKMGOMSQAMNMVMW-UHFFFAOYSA-N
MW367.20 g/mol
LogP3.12
Rot. Bonds5

About N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide

N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide (PubChem CID 127109293) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
PubChem CID127109293
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC NameN-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Br)ccn2)cc(OC)c1OC
InChIInChI=1S/C15H15BrN2O4/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)18-13-8-10(16)4-5-17-13/h4-8H,1-3H3,(H,17,18,19)
InChIKeyKMGOMSQAMNMVMW-UHFFFAOYSA-N
XLogP3.12
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 35027407
1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868113
1-(4-bromo-2-pyridinyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866306
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585
N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 102674199
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606
4-bromo-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 78988670

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide (CID 127109293) is N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(Br)ccn2)cc(OC)c1OC.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The InChIKey is KMGOMSQAMNMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)18-13-8-10(16)4-5-17-13/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide?
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide has a molecular weight of 367.20 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 127109293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).