6-bromo-N-quinolin-8-ylpyridine-3-carboxamide

C15H10BrN3O — CID 66463068

IUPAC6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Br)nc1
InChIInChI=1S/C15H10BrN3O/c16-13-7-6-11(9-18-13)15(20)19-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H,19,20)
InChIKeyOTZJOXQOXDQNDN-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.64
Rot. Bonds2

About 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide

6-bromo-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 66463068) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID66463068
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Br)nc1
InChIInChI=1S/C15H10BrN3O/c16-13-7-6-11(9-18-13)15(20)19-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H,19,20)
InChIKeyOTZJOXQOXDQNDN-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
6-(dipropylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109161849
6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164851
5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
6-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157732
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157913
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide (CID 66463068) is 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is OTZJOXQOXDQNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-13-7-6-11(9-18-13)15(20)19-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H,19,20).
What are the key properties of 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide?
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 66463068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).