1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol

C18H22N4O3 — CID 168788235

IUPAC1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol
SMILESNc1ccc(Oc2ccc(N)c(C3(O)CCC3)n2)nc1C1(O)CCC1
InChIInChI=1S/C18H22N4O3/c19-11-3-5-13(21-15(11)17(23)7-1-8-17)25-14-6-4-12(20)16(22-14)18(24)9-2-10-18/h3-6,23-24H,1-2,7-10,19-20H2
InChIKeyFFEZNENWQJBBSK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.18
Rot. Bonds4

About 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol

1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol (PubChem CID 168788235) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol
PubChem CID168788235
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol
SMILESNc1ccc(Oc2ccc(N)c(C3(O)CCC3)n2)nc1C1(O)CCC1
InChIInChI=1S/C18H22N4O3/c19-11-3-5-13(21-15(11)17(23)7-1-8-17)25-14-6-4-12(20)16(22-14)18(24)9-2-10-18/h3-6,23-24H,1-2,7-10,19-20H2
InChIKeyFFEZNENWQJBBSK-UHFFFAOYSA-N
XLogP2.18
TPSA127.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol (CID 168788235) is 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol is Nc1ccc(Oc2ccc(N)c(C3(O)CCC3)n2)nc1C1(O)CCC1.
What is the InChIKey of 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is FFEZNENWQJBBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-11-3-5-13(21-15(11)17(23)7-1-8-17)25-14-6-4-12(20)16(22-14)18(24)9-2-10-18/h3-6,23-24H,1-2,7-10,19-20H2.
What are the key properties of 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol?
1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 342.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-[[5-amino-6-(1-hydroxycyclobutyl)-2-pyridinyl]oxy]-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 168788235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).