2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C23H26N4O3 — CID 155451165

IUPAC2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cccnc3C3CCOCC3)ccn2)ccn1
InChIInChI=1S/C23H26N4O3/c1-23(2,28)20-14-17(5-10-24-20)27-21-15-18(6-11-25-21)30-19-4-3-9-26-22(19)16-7-12-29-13-8-16/h3-6,9-11,14-16,28H,7-8,12-13H2,1-2H3,(H,24,25,27)
InChIKeyNNTCZBBKTINNQC-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.53
Rot. Bonds6

About 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451165) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451165
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cccnc3C3CCOCC3)ccn2)ccn1
InChIInChI=1S/C23H26N4O3/c1-23(2,28)20-14-17(5-10-24-20)27-21-15-18(6-11-25-21)30-19-4-3-9-26-22(19)16-7-12-29-13-8-16/h3-6,9-11,14-16,28H,7-8,12-13H2,1-2H3,(H,24,25,27)
InChIKeyNNTCZBBKTINNQC-UHFFFAOYSA-N
XLogP4.53
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451165) is 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cccnc3C3CCOCC3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is NNTCZBBKTINNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(2,28)20-14-17(5-10-24-20)27-21-15-18(6-11-25-21)30-19-4-3-9-26-22(19)16-7-12-29-13-8-16/h3-6,9-11,14-16,28H,7-8,12-13H2,1-2H3,(H,24,25,27).
What are the key properties of 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 406.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).