tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine

C64H80N12O13 — CID 159530790

IUPACtert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine
SMILESCC(C)(C)OC(=O)N1CC(Oc2nc(N)ccc2-c2ccoc2)C1.CC(C)(C)OC(=O)N1CC(Oc2nc(NC(=O)C3CC3)ccc2-c2ccoc2)C1.CN1CC(Oc2nc(N)ccc2-c2ccoc2)C1.CN1CC(Oc2nc(N)ccc2C2CCOC2)C1
InChIInChI=1S/C21H25N3O5.C17H21N3O4.C13H19N3O2.C13H15N3O2/c1-21(2,3)29-20(26)24-10-15(11-24)28-19-16(14-8-9-27-12-14)6-7-17(23-19)22-18(25)13-4-5-13;1-17(2,3)24-16(21)20-8-12(9-20)23-15-13(4-5-14(18)19-15)11-6-7-22-10-11;2*1-16-6-10(7-16)18-13-11(2-3-12(14)15-13)9-4-5-17-8-9/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,22,23,25);4-7,10,12H,8-9H2,1-3H3,(H2,18,19);2-3,9-10H,4-8H2,1H3,(H2,14,15);2-5,8,10H,6-7H2,1H3,(H2,14,15)
InChIKeyMCYSYFITIHTKSU-UHFFFAOYSA-N
MW1225.41 g/mol
LogP9.09
Rot. Bonds14

About tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine

tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine (PubChem CID 159530790) has the molecular formula C64H80N12O13 and a molecular weight of 1225.41 g/mol. Its IUPAC name is tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Nametert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine
PubChem CID159530790
Molecular FormulaC64H80N12O13
Molecular Weight1225.41 g/mol
Exact Mass1224.60
IUPAC Nametert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine
SMILESCC(C)(C)OC(=O)N1CC(Oc2nc(N)ccc2-c2ccoc2)C1.CC(C)(C)OC(=O)N1CC(Oc2nc(NC(=O)C3CC3)ccc2-c2ccoc2)C1.CN1CC(Oc2nc(N)ccc2-c2ccoc2)C1.CN1CC(Oc2nc(N)ccc2C2CCOC2)C1
InChIInChI=1S/C21H25N3O5.C17H21N3O4.C13H19N3O2.C13H15N3O2/c1-21(2,3)29-20(26)24-10-15(11-24)28-19-16(14-8-9-27-12-14)6-7-17(23-19)22-18(25)13-4-5-13;1-17(2,3)24-16(21)20-8-12(9-20)23-15-13(4-5-14(18)19-15)11-6-7-22-10-11;2*1-16-6-10(7-16)18-13-11(2-3-12(14)15-13)9-4-5-17-8-9/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,22,23,25);4-7,10,12H,8-9H2,1-3H3,(H2,18,19);2-3,9-10H,4-8H2,1H3,(H2,14,15);2-5,8,10H,6-7H2,1H3,(H2,14,15)
InChIKeyMCYSYFITIHTKSU-UHFFFAOYSA-N
XLogP9.09
TPSA309.85 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.41
LogP ≤ 59.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine (CID 159530790) is tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine is CC(C)(C)OC(=O)N1CC(Oc2nc(N)ccc2-c2ccoc2)C1.CC(C)(C)OC(=O)N1CC(Oc2nc(NC(=O)C3CC3)ccc2-c2ccoc2)C1.CN1CC(Oc2nc(N)ccc2-c2ccoc2)C1.CN1CC(Oc2nc(N)ccc2C2CCOC2)C1.
What is the InChIKey of tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is MCYSYFITIHTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5.C17H21N3O4.C13H19N3O2.C13H15N3O2/c1-21(2,3)29-20(26)24-10-15(11-24)28-19-16(14-8-9-27-12-14)6-7-17(23-19)22-18(25)13-4-5-13;1-17(2,3)24-16(21)20-8-12(9-20)23-15-13(4-5-14(18)19-15)11-6-7-22-10-11;2*1-16-6-10(7-16)18-13-11(2-3-12(14)15-13)9-4-5-17-8-9/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,22,23,25);4-7,10,12H,8-9H2,1-3H3,(H2,18,19);2-3,9-10H,4-8H2,1H3,(H2,14,15);2-5,8,10H,6-7H2,1H3,(H2,14,15).
What are the key properties of tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine?
tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 1225.41 g/mol, XLogP of 9.09, 14 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-amino-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 3-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate;5-(furan-3-yl)-6-(1-methylazetidin-3-yl)oxypyridin-2-amine;6-(1-methylazetidin-3-yl)oxy-5-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 159530790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).