N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine

C23H20N4O — CID 58107087

IUPACN-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine
SMILESc1ccc(Oc2cccc(CNCc3cccc(-c4cccnc4)n3)n2)cc1
InChIInChI=1S/C23H20N4O/c1-2-10-21(11-3-1)28-23-13-5-9-20(27-23)17-25-16-19-8-4-12-22(26-19)18-7-6-14-24-15-18/h1-15,25H,16-17H2
InChIKeyXCEIYYQDRJIWHB-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.62
Rot. Bonds7

About N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine

N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine (PubChem CID 58107087) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine
PubChem CID58107087
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine
SMILESc1ccc(Oc2cccc(CNCc3cccc(-c4cccnc4)n3)n2)cc1
InChIInChI=1S/C23H20N4O/c1-2-10-21(11-3-1)28-23-13-5-9-20(27-23)17-25-16-19-8-4-12-22(26-19)18-7-6-14-24-15-18/h1-15,25H,16-17H2
InChIKeyXCEIYYQDRJIWHB-UHFFFAOYSA-N
XLogP4.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine?
The IUPAC name of N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine (CID 58107087) is N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine is c1ccc(Oc2cccc(CNCc3cccc(-c4cccnc4)n3)n2)cc1.
What is the InChIKey of N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine?
The InChIKey is XCEIYYQDRJIWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-10-21(11-3-1)28-23-13-5-9-20(27-23)17-25-16-19-8-4-12-22(26-19)18-7-6-14-24-15-18/h1-15,25H,16-17H2.
What are the key properties of N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine?
N-[(6-phenoxy-2-pyridinyl)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine has a molecular weight of 368.44 g/mol, XLogP of 4.62, 7 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)methyl]-1-(6-pyridin-3-yl-2-pyridinyl)methanamine is sourced from PubChem (CID 58107087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).