2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C20H22N4O2 — CID 155451167

IUPAC2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1ccc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(C)n1
InChIInChI=1S/C20H22N4O2/c1-13-5-7-17(14(2)23-13)26-16-9-10-21-19(11-16)24-15-6-8-18(22-12-15)20(3,4)25/h5-12,25H,1-4H3,(H,21,24)
InChIKeyAIGYCXLKENHFKH-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.25
Rot. Bonds5

About 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451167) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451167
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1ccc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(C)n1
InChIInChI=1S/C20H22N4O2/c1-13-5-7-17(14(2)23-13)26-16-9-10-21-19(11-16)24-15-6-8-18(22-12-15)20(3,4)25/h5-12,25H,1-4H3,(H,21,24)
InChIKeyAIGYCXLKENHFKH-UHFFFAOYSA-N
XLogP4.25
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451167) is 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is Cc1ccc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(C)n1.
What is the InChIKey of 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is AIGYCXLKENHFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-5-7-17(14(2)23-13)26-16-9-10-21-19(11-16)24-15-6-8-18(22-12-15)20(3,4)25/h5-12,25H,1-4H3,(H,21,24).
What are the key properties of 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 350.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).