N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide

C25H24BrN3O — CID 2220478

IUPACN-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C25H24BrN3O/c26-19-1-2-22-20(12-19)21(13-23(28-22)16-3-5-27-6-4-16)25(30)29-24-17-8-14-7-15(10-17)11-18(24)9-14/h1-6,12-15,17-18,24H,7-11H2,(H,29,30)
InChIKeyNVTBMYRYROASTI-UHFFFAOYSA-N
MW462.39 g/mol
LogP5.61
Rot. Bonds3

About N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide

N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2220478) has the molecular formula C25H24BrN3O and a molecular weight of 462.39 g/mol. Its IUPAC name is N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2220478
Molecular FormulaC25H24BrN3O
Molecular Weight462.39 g/mol
Exact Mass461.11
IUPAC NameN-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C25H24BrN3O/c26-19-1-2-22-20(12-19)21(13-23(28-22)16-3-5-27-6-4-16)25(30)29-24-17-8-14-7-15(10-17)11-18(24)9-14/h1-6,12-15,17-18,24H,7-11H2,(H,29,30)
InChIKeyNVTBMYRYROASTI-UHFFFAOYSA-N
XLogP5.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.39
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261284
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 7472552
6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 166216690
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
6-bromo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261532
N-(2-adamantyl)-5-bromo-2-iodobenzamide
CID 103602440
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-bromo-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 98271715
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1257032
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
6-bromo-2-(4-tert-butylphenyl)-N-cyclooctylquinoline-4-carboxamide
CID 3361283

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide (CID 2220478) is N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccncc2)nc2ccc(Br)cc12.
What is the InChIKey of N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is NVTBMYRYROASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O/c26-19-1-2-22-20(12-19)21(13-23(28-22)16-3-5-27-6-4-16)25(30)29-24-17-8-14-7-15(10-17)11-18(24)9-14/h1-6,12-15,17-18,24H,7-11H2,(H,29,30).
What are the key properties of N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 462.39 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).