4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium

C25H24IN5OP+ — CID 161002186

IUPAC4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium
SMILESO=C(NCCCC[P+](c1cccnc1)(c1cccnc1)c1cccnc1)c1ccc([131I])nc1
InChIInChI=1S/C25H23IN5OP/c26-24-10-9-20(16-31-24)25(32)30-14-1-2-15-33(21-6-3-11-27-17-21,22-7-4-12-28-18-22)23-8-5-13-29-19-23/h3-13,16-19H,1-2,14-15H2/p+1/i26+4
InChIKeyTWAJWGVBWQTHMY-WGQBEPEPSA-O
MW572.38 g/mol
LogP3.38
Rot. Bonds9

About 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium

4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium (PubChem CID 161002186) has the molecular formula C25H24IN5OP+ and a molecular weight of 572.38 g/mol. Its IUPAC name is 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium.

Molecular Properties

Compound Name4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium
PubChem CID161002186
Molecular FormulaC25H24IN5OP+
Molecular Weight572.38 g/mol
Exact Mass572.08
IUPAC Name4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium
SMILESO=C(NCCCC[P+](c1cccnc1)(c1cccnc1)c1cccnc1)c1ccc([131I])nc1
InChIInChI=1S/C25H23IN5OP/c26-24-10-9-20(16-31-24)25(32)30-14-1-2-15-33(21-6-3-11-27-17-21,22-7-4-12-28-18-22)23-8-5-13-29-19-23/h3-13,16-19H,1-2,14-15H2/p+1/i26+4
InChIKeyTWAJWGVBWQTHMY-WGQBEPEPSA-O
XLogP3.38
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide
CID 11973420
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101

Frequently Asked Questions

What is the IUPAC name of 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium?
The IUPAC name of 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium (CID 161002186) is 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium.
What is the SMILES notation for 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium?
The canonical SMILES for 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium is O=C(NCCCC[P+](c1cccnc1)(c1cccnc1)c1cccnc1)c1ccc([131I])nc1.
What is the InChIKey of 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium?
The InChIKey is TWAJWGVBWQTHMY-WGQBEPEPSA-O. The full InChI is InChI=1S/C25H23IN5OP/c26-24-10-9-20(16-31-24)25(32)30-14-1-2-15-33(21-6-3-11-27-17-21,22-7-4-12-28-18-22)23-8-5-13-29-19-23/h3-13,16-19H,1-2,14-15H2/p+1/i26+4.
What are the key properties of 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium?
4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium has a molecular weight of 572.38 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium is sourced from PubChem (CID 161002186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).