triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium

C29H30N2OP+ — CID 169012759

IUPACtriphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
SMILESO=C(NCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C29H29N2OP/c32-29(25-14-13-21-30-24-25)31-22-11-4-12-23-33(26-15-5-1-6-16-26,27-17-7-2-8-18-27)28-19-9-3-10-20-28/h1-3,5-10,13-21,24H,4,11-12,22-23H2/p+1
InChIKeyVPOWAUMORDGPGF-UHFFFAOYSA-O
MW453.55 g/mol
LogP4.98
Rot. Bonds10

About triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium

triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium (PubChem CID 169012759) has the molecular formula C29H30N2OP+ and a molecular weight of 453.55 g/mol. Its IUPAC name is triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
PubChem CID169012759
Molecular FormulaC29H30N2OP+
Molecular Weight453.55 g/mol
Exact Mass453.21
IUPAC Nametriphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
SMILESO=C(NCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C29H29N2OP/c32-29(25-14-13-21-30-24-25)31-22-11-4-12-23-33(26-15-5-1-6-16-26,27-17-7-2-8-18-27)28-19-9-3-10-20-28/h1-3,5-10,13-21,24H,4,11-12,22-23H2/p+1
InChIKeyVPOWAUMORDGPGF-UHFFFAOYSA-O
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-(131I)iodopyridine-3-carbonyl)amino]butyl-tripyridin-3-ylphosphanium
CID 161002186
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
10-[(3,4-dihydroxybenzoyl)amino]decyl-triphenylphosphanium bromide
CID 155520813
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240

Frequently Asked Questions

What is the IUPAC name of triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium?
The IUPAC name of triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium (CID 169012759) is triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium.
What is the SMILES notation for triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium?
The canonical SMILES for triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium is O=C(NCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium?
The InChIKey is VPOWAUMORDGPGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H29N2OP/c32-29(25-14-13-21-30-24-25)31-22-11-4-12-23-33(26-15-5-1-6-16-26,27-17-7-2-8-18-27)28-19-9-3-10-20-28/h1-3,5-10,13-21,24H,4,11-12,22-23H2/p+1.
What are the key properties of triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium?
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium has a molecular weight of 453.55 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium is sourced from PubChem (CID 169012759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).