4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide

C25H16BrN5O2 — CID 69494964

IUPAC4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C25H16BrN5O2/c26-17-11-22(24(32)29-18-9-15-5-1-3-7-20(15)27-13-18)31-23(12-17)25(33)30-19-10-16-6-2-4-8-21(16)28-14-19/h1-14H,(H,29,32)(H,30,33)
InChIKeyDEMTYEALKQSCRH-UHFFFAOYSA-N
MW498.34 g/mol
LogP5.45
Rot. Bonds4

About 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide

4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide (PubChem CID 69494964) has the molecular formula C25H16BrN5O2 and a molecular weight of 498.34 g/mol. Its IUPAC name is 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide
PubChem CID69494964
Molecular FormulaC25H16BrN5O2
Molecular Weight498.34 g/mol
Exact Mass497.05
IUPAC Name4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C25H16BrN5O2/c26-17-11-22(24(32)29-18-9-15-5-1-3-7-20(15)27-13-18)31-23(12-17)25(33)30-19-10-16-6-2-4-8-21(16)28-14-19/h1-14H,(H,29,32)(H,30,33)
InChIKeyDEMTYEALKQSCRH-UHFFFAOYSA-N
XLogP5.45
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.34
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide (CID 69494964) is 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide is O=C(Nc1cnc2ccccc2c1)c1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)n1.
What is the InChIKey of 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide?
The InChIKey is DEMTYEALKQSCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN5O2/c26-17-11-22(24(32)29-18-9-15-5-1-3-7-20(15)27-13-18)31-23(12-17)25(33)30-19-10-16-6-2-4-8-21(16)28-14-19/h1-14H,(H,29,32)(H,30,33).
What are the key properties of 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide?
4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide has a molecular weight of 498.34 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N,6-N-di(quinolin-3-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 69494964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).