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

C16H17BrN2O4 — CID 46307937

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)c(Br)cn2)cc(OC)c1OC
InChIInChI=1S/C16H17BrN2O4/c1-9-5-14(18-8-11(9)17)19-16(20)10-6-12(21-2)15(23-4)13(7-10)22-3/h5-8H,1-4H3,(H,18,19,20)
InChIKeyPQROMWKOCVJDCZ-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.43
Rot. Bonds5

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

N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide (PubChem CID 46307937) has the molecular formula C16H17BrN2O4 and a molecular weight of 381.23 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
PubChem CID46307937
Molecular FormulaC16H17BrN2O4
Molecular Weight381.23 g/mol
Exact Mass380.04
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)c(Br)cn2)cc(OC)c1OC
InChIInChI=1S/C16H17BrN2O4/c1-9-5-14(18-8-11(9)17)19-16(20)10-6-12(21-2)15(23-4)13(7-10)22-3/h5-8H,1-4H3,(H,18,19,20)
InChIKeyPQROMWKOCVJDCZ-UHFFFAOYSA-N
XLogP3.43
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
CID 79736443
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
CID 79729400

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide (CID 46307937) is N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(C)c(Br)cn2)cc(OC)c1OC.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The InChIKey is PQROMWKOCVJDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4/c1-9-5-14(18-8-11(9)17)19-16(20)10-6-12(21-2)15(23-4)13(7-10)22-3/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide has a molecular weight of 381.23 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 46307937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).