N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide

C22H15BrN2OSe — CID 102531882

IUPACN-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccc([Se]c3ccc(Br)cc3)c12)c1ccccn1
InChIInChI=1S/C22H15BrN2OSe/c23-16-10-12-17(13-11-16)27-20-9-4-6-15-5-3-8-18(21(15)20)25-22(26)19-7-1-2-14-24-19/h1-14H,(H,25,26)
InChIKeyQLONHYJFTBRYJY-UHFFFAOYSA-N
MW482.24 g/mol
LogP3.90
Rot. Bonds4

About N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide

N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide (PubChem CID 102531882) has the molecular formula C22H15BrN2OSe and a molecular weight of 482.24 g/mol. Its IUPAC name is N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide
PubChem CID102531882
Molecular FormulaC22H15BrN2OSe
Molecular Weight482.24 g/mol
Exact Mass481.95
IUPAC NameN-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccc([Se]c3ccc(Br)cc3)c12)c1ccccn1
InChIInChI=1S/C22H15BrN2OSe/c23-16-10-12-17(13-11-16)27-20-9-4-6-15-5-3-8-18(21(15)20)25-22(26)19-7-1-2-14-24-19/h1-14H,(H,25,26)
InChIKeyQLONHYJFTBRYJY-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide
CID 169094448
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide
CID 102531877
N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 72714120
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
N-[8-(4-bromophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659560
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate
CID 71659694
N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide
CID 75434563
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide (CID 102531882) is N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide is O=C(Nc1cccc2cccc([Se]c3ccc(Br)cc3)c12)c1ccccn1.
What is the InChIKey of N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide?
The InChIKey is QLONHYJFTBRYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2OSe/c23-16-10-12-17(13-11-16)27-20-9-4-6-15-5-3-8-18(21(15)20)25-22(26)19-7-1-2-14-24-19/h1-14H,(H,25,26).
What are the key properties of N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide?
N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide has a molecular weight of 482.24 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 102531882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).