N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine

C24H22N4O — CID 153419194

IUPACN'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine
SMILESc1ccc(Oc2cccc(N(CNCc3ccccn3)c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O/c1-3-11-21(12-4-1)28(19-25-18-20-10-7-8-17-26-20)23-15-9-16-24(27-23)29-22-13-5-2-6-14-22/h1-17,25H,18-19H2
InChIKeyUBCKSDSJZWIFSM-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.15
Rot. Bonds8

About N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine

N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine (PubChem CID 153419194) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine.

Molecular Properties

Compound NameN'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine
PubChem CID153419194
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine
SMILESc1ccc(Oc2cccc(N(CNCc3ccccn3)c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O/c1-3-11-21(12-4-1)28(19-25-18-20-10-7-8-17-26-20)23-15-9-16-24(27-23)29-22-13-5-2-6-14-22/h1-17,25H,18-19H2
InChIKeyUBCKSDSJZWIFSM-UHFFFAOYSA-N
XLogP5.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine?
The IUPAC name of N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine (CID 153419194) is N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine.
What is the SMILES notation for N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine?
The canonical SMILES for N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine is c1ccc(Oc2cccc(N(CNCc3ccccn3)c3ccccc3)n2)cc1.
What is the InChIKey of N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine?
The InChIKey is UBCKSDSJZWIFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-3-11-21(12-4-1)28(19-25-18-20-10-7-8-17-26-20)23-15-9-16-24(27-23)29-22-13-5-2-6-14-22/h1-17,25H,18-19H2.
What are the key properties of N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine?
N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine has a molecular weight of 382.47 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine is sourced from PubChem (CID 153419194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).