5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide

C19H13BrN2O3 — CID 2634087

IUPAC5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cncc(Br)c1)oc1ccccc12
InChIInChI=1S/C19H13BrN2O3/c1-24-18-7-14-13-4-2-3-5-16(13)25-17(14)8-15(18)22-19(23)11-6-12(20)10-21-9-11/h2-10H,1H3,(H,22,23)
InChIKeyZFNBHNBOSNZGGD-UHFFFAOYSA-N
MW397.23 g/mol
LogP5.00
Rot. Bonds3

About 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide

5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide (PubChem CID 2634087) has the molecular formula C19H13BrN2O3 and a molecular weight of 397.23 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide
PubChem CID2634087
Molecular FormulaC19H13BrN2O3
Molecular Weight397.23 g/mol
Exact Mass396.01
IUPAC Name5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cncc(Br)c1)oc1ccccc12
InChIInChI=1S/C19H13BrN2O3/c1-24-18-7-14-13-4-2-3-5-16(13)25-17(14)8-15(18)22-19(23)11-6-12(20)10-21-9-11/h2-10H,1H3,(H,22,23)
InChIKeyZFNBHNBOSNZGGD-UHFFFAOYSA-N
XLogP5.00
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.23
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide (CID 2634087) is 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide is COc1cc2c(cc1NC(=O)c1cncc(Br)c1)oc1ccccc12.
What is the InChIKey of 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide?
The InChIKey is ZFNBHNBOSNZGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O3/c1-24-18-7-14-13-4-2-3-5-16(13)25-17(14)8-15(18)22-19(23)11-6-12(20)10-21-9-11/h2-10H,1H3,(H,22,23).
What are the key properties of 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide?
5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide has a molecular weight of 397.23 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxydibenzofuran-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2634087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).