2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C20H22N4O3 — CID 155450638

IUPAC2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCOc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1
InChIInChI=1S/C20H22N4O3/c1-13-16(5-6-19(23-13)26-4)27-15-8-10-22-18(12-15)24-14-7-9-21-17(11-14)20(2,3)25/h5-12,25H,1-4H3,(H,21,22,24)
InChIKeyFSIVSEKSFVDWQY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.95
Rot. Bonds6

About 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450638) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450638
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCOc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1
InChIInChI=1S/C20H22N4O3/c1-13-16(5-6-19(23-13)26-4)27-15-8-10-22-18(12-15)24-14-7-9-21-17(11-14)20(2,3)25/h5-12,25H,1-4H3,(H,21,22,24)
InChIKeyFSIVSEKSFVDWQY-UHFFFAOYSA-N
XLogP3.95
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[(6-methoxy-2-methyl-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-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450638) is 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is COc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1.
What is the InChIKey of 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is FSIVSEKSFVDWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-16(5-6-19(23-13)26-4)27-15-8-10-22-18(12-15)24-14-7-9-21-17(11-14)20(2,3)25/h5-12,25H,1-4H3,(H,21,22,24).
What are the key properties of 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 366.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).