6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide

C21H13BrN6O — CID 166202075

IUPAC6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc2nncn2c1)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C21H13BrN6O/c22-14-1-3-18-16(9-14)17(10-19(26-18)13-5-7-23-8-6-13)21(29)25-15-2-4-20-27-24-12-28(20)11-15/h1-12H,(H,25,29)
InChIKeyZJICYXRTNVZCIQ-UHFFFAOYSA-N
MW445.28 g/mol
LogP4.35
Rot. Bonds3

About 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide

6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide (PubChem CID 166202075) has the molecular formula C21H13BrN6O and a molecular weight of 445.28 g/mol. Its IUPAC name is 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide
PubChem CID166202075
Molecular FormulaC21H13BrN6O
Molecular Weight445.28 g/mol
Exact Mass444.03
IUPAC Name6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc2nncn2c1)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C21H13BrN6O/c22-14-1-3-18-16(9-14)17(10-19(26-18)13-5-7-23-8-6-13)21(29)25-15-2-4-20-27-24-12-28(20)11-15/h1-12H,(H,25,29)
InChIKeyZJICYXRTNVZCIQ-UHFFFAOYSA-N
XLogP4.35
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 7472552
N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220478
6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide
CID 86892310
6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 155967034
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid
CID 66623612
6-bromo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261532
6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 166216690

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide (CID 166202075) is 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide is O=C(Nc1ccc2nncn2c1)c1cc(-c2ccncc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide?
The InChIKey is ZJICYXRTNVZCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN6O/c22-14-1-3-18-16(9-14)17(10-19(26-18)13-5-7-23-8-6-13)21(29)25-15-2-4-20-27-24-12-28(20)11-15/h1-12H,(H,25,29).
What are the key properties of 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide?
6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide has a molecular weight of 445.28 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide is sourced from PubChem (CID 166202075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).