N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide

C14H13BrN2O3 — CID 102674424

IUPACN-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Br)ccn2)cc1OC
InChIInChI=1S/C14H13BrN2O3/c1-19-11-4-3-9(7-12(11)20-2)14(18)17-13-8-10(15)5-6-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyDCKVIVNVFXNZSG-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.11
Rot. Bonds4

About N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide

N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide (PubChem CID 102674424) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
PubChem CID102674424
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Br)ccn2)cc1OC
InChIInChI=1S/C14H13BrN2O3/c1-19-11-4-3-9(7-12(11)20-2)14(18)17-13-8-10(15)5-6-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyDCKVIVNVFXNZSG-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

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Related Compounds

N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
1-(4-bromo-2-pyridinyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866306
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868113
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 69002184

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide (CID 102674424) is N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(Br)ccn2)cc1OC.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide?
The InChIKey is DCKVIVNVFXNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-11-4-3-9(7-12(11)20-2)14(18)17-13-8-10(15)5-6-16-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide?
N-(4-bromo-2-pyridinyl)-3,4-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-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 102674424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).