N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide

C14H13BrN2O3 — CID 110605077

IUPACN-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C14H13BrN2O3/c1-19-10-4-3-5-11(20-2)13(10)14(18)17-9-6-7-12(15)16-8-9/h3-8H,1-2H3,(H,17,18)
InChIKeyKIEPZBDYXFGXCN-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.11
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide

N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide (PubChem CID 110605077) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
PubChem CID110605077
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C14H13BrN2O3/c1-19-10-4-3-5-11(20-2)13(10)14(18)17-9-6-7-12(15)16-8-9/h3-8H,1-2H3,(H,17,18)
InChIKeyKIEPZBDYXFGXCN-UHFFFAOYSA-N
XLogP3.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
CID 113017171
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide
CID 106509645
6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 66465082
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
CID 164646765
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide (CID 110605077) is N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide?
The InChIKey is KIEPZBDYXFGXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-10-4-3-5-11(20-2)13(10)14(18)17-9-6-7-12(15)16-8-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide?
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide has a molecular weight of 337.17 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 110605077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).