6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide

C21H19BrN2O4 — CID 55786958

IUPAC6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1OC
InChIInChI=1S/C21H19BrN2O4/c1-13-10-18(26-2)19(27-3)11-17(13)24-21(25)14-4-9-20(23-12-14)28-16-7-5-15(22)6-8-16/h4-12H,1-3H3,(H,24,25)
InChIKeySJFZZBJRTXUCQR-UHFFFAOYSA-N
MW443.30 g/mol
LogP5.21
Rot. Bonds6

About 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide

6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 55786958) has the molecular formula C21H19BrN2O4 and a molecular weight of 443.30 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide
PubChem CID55786958
Molecular FormulaC21H19BrN2O4
Molecular Weight443.30 g/mol
Exact Mass442.05
IUPAC Name6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1OC
InChIInChI=1S/C21H19BrN2O4/c1-13-10-18(26-2)19(27-3)11-17(13)24-21(25)14-4-9-20(23-12-14)28-16-7-5-15(22)6-8-16/h4-12H,1-3H3,(H,24,25)
InChIKeySJFZZBJRTXUCQR-UHFFFAOYSA-N
XLogP5.21
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
6-(4-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46488695
1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
CID 55770669
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-3-carboxamide
CID 134016007
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 55713973
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-6-methoxypyridine-3-carboxamide
CID 32514301

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide (CID 55786958) is 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide is COc1cc(C)c(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1OC.
What is the InChIKey of 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is SJFZZBJRTXUCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4/c1-13-10-18(26-2)19(27-3)11-17(13)24-21(25)14-4-9-20(23-12-14)28-16-7-5-15(22)6-8-16/h4-12H,1-3H3,(H,24,25).
What are the key properties of 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 443.30 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 55786958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).