[[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium

C14H18N3O4P2+ — CID 139178486

IUPAC[[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)CP(=O)(O)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C14H17N3O4P2/c18-22(19)12-23(20,21)11-17(9-13-5-1-3-7-15-13)10-14-6-2-4-8-16-14/h1-8H,9-12H2,(H-,18,19,20,21)/p+1
InChIKeyABAHSOXUMGMVJQ-UHFFFAOYSA-O
MW354.26 g/mol
LogP2.40
Rot. Bonds8

About [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium

[[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium (PubChem CID 139178486) has the molecular formula C14H18N3O4P2+ and a molecular weight of 354.26 g/mol. Its IUPAC name is [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium
PubChem CID139178486
Molecular FormulaC14H18N3O4P2+
Molecular Weight354.26 g/mol
Exact Mass354.08
IUPAC Name[[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)CP(=O)(O)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C14H17N3O4P2/c18-22(19)12-23(20,21)11-17(9-13-5-1-3-7-15-13)10-14-6-2-4-8-16-14/h1-8H,9-12H2,(H-,18,19,20,21)/p+1
InChIKeyABAHSOXUMGMVJQ-UHFFFAOYSA-O
XLogP2.40
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid
CID 15290103
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 130353298
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004
2-[bis(pyridin-2-ylmethyl)amino]ethanedithioic acid
CID 140748007

Frequently Asked Questions

What is the IUPAC name of [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium?
The IUPAC name of [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium (CID 139178486) is [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium.
What is the SMILES notation for [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium?
The canonical SMILES for [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium is O=[P+](O)CP(=O)(O)CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium?
The InChIKey is ABAHSOXUMGMVJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17N3O4P2/c18-22(19)12-23(20,21)11-17(9-13-5-1-3-7-15-13)10-14-6-2-4-8-16-14/h1-8H,9-12H2,(H-,18,19,20,21)/p+1.
What are the key properties of [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium?
[[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium has a molecular weight of 354.26 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium is sourced from PubChem (CID 139178486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).