1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol

C120H175F2N15O16 — CID 163598174

IUPAC1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
SMILESCC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn(C2CCCN(CCF)C2)c1=O.CC(C)Cc1cccn(C2CCCOC2)c1=O.CC(C)Cc1cccn(C2CCOC2)c1=O.CC(C)Cc1cccn(CC2CCCCO2)c1=O.CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccnc1OC(CO)CO
InChIInChI=1S/C16H25FN2O.C15H23NO2.C14H15FN2O.C14H21NO2.C13H20N2O2.C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-13(2)11-14-5-3-9-19(16(14)20)15-6-4-8-18(12-15)10-7-17;1-12(2)10-13-6-5-8-16(15(13)17)11-14-7-3-4-9-18-14;1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13;1-11(2)9-12-5-3-7-15(14(12)16)13-6-4-8-17-10-13;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-10(2)8-11-4-3-6-14(13(11)15)12-5-7-16-9-12;1-9(2)8-10-4-3-5-11(13-10)14-6-7-16-12(14)15;1-9(2)6-10-4-3-5-12(13-10)14-7-11(15)8-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h3,5,9,13,15H,4,6-8,10-12H2,1-2H3;5-6,8,12,14H,3-4,7,9-11H2,1-2H3;3-8,10H,9H2,1-2H3;3,5,7,11,13H,4,6,8-10H2,1-2H3;3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,6,10,12H,5,7-9H2,1-2H3;3-5,9H,6-8H2,1-2H3;3-5,9,11,15H,6-8H2,1-2H3;3-5,8-9,13-15H,6-7H2,1-2H3
InChIKeyGVHGVRQIGREXAU-UHFFFAOYSA-N
MW2121.80 g/mol
LogP18.42
Rot. Bonds36

About 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol

1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol (PubChem CID 163598174) has the molecular formula C120H175F2N15O16 and a molecular weight of 2121.80 g/mol. Its IUPAC name is 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol.

Molecular Properties

Compound Name1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
PubChem CID163598174
Molecular FormulaC120H175F2N15O16
Molecular Weight2121.80 g/mol
Exact Mass2120.33
IUPAC Name1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
SMILESCC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn(C2CCCN(CCF)C2)c1=O.CC(C)Cc1cccn(C2CCCOC2)c1=O.CC(C)Cc1cccn(C2CCOC2)c1=O.CC(C)Cc1cccn(CC2CCCCO2)c1=O.CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccnc1OC(CO)CO
InChIInChI=1S/C16H25FN2O.C15H23NO2.C14H15FN2O.C14H21NO2.C13H20N2O2.C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-13(2)11-14-5-3-9-19(16(14)20)15-6-4-8-18(12-15)10-7-17;1-12(2)10-13-6-5-8-16(15(13)17)11-14-7-3-4-9-18-14;1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13;1-11(2)9-12-5-3-7-15(14(12)16)13-6-4-8-17-10-13;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-10(2)8-11-4-3-6-14(13(11)15)12-5-7-16-9-12;1-9(2)8-10-4-3-5-11(13-10)14-6-7-16-12(14)15;1-9(2)6-10-4-3-5-12(13-10)14-7-11(15)8-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h3,5,9,13,15H,4,6-8,10-12H2,1-2H3;5-6,8,12,14H,3-4,7,9-11H2,1-2H3;3-8,10H,9H2,1-2H3;3,5,7,11,13H,4,6,8-10H2,1-2H3;3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,6,10,12H,5,7-9H2,1-2H3;3-5,9H,6-8H2,1-2H3;3-5,9,11,15H,6-8H2,1-2H3;3-5,8-9,13-15H,6-7H2,1-2H3
InChIKeyGVHGVRQIGREXAU-UHFFFAOYSA-N
XLogP18.42
TPSA350.48 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002121.80
LogP ≤ 518.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The IUPAC name of 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol (CID 163598174) is 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol.
What is the SMILES notation for 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The canonical SMILES for 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol is CC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn(C2CCCN(CCF)C2)c1=O.CC(C)Cc1cccn(C2CCCOC2)c1=O.CC(C)Cc1cccn(C2CCOC2)c1=O.CC(C)Cc1cccn(CC2CCCCO2)c1=O.CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccnc1OC(CO)CO.
What is the InChIKey of 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The InChIKey is GVHGVRQIGREXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O.C15H23NO2.C14H15FN2O.C14H21NO2.C13H20N2O2.C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-13(2)11-14-5-3-9-19(16(14)20)15-6-4-8-18(12-15)10-7-17;1-12(2)10-13-6-5-8-16(15(13)17)11-14-7-3-4-9-18-14;1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13;1-11(2)9-12-5-3-7-15(14(12)16)13-6-4-8-17-10-13;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-10(2)8-11-4-3-6-14(13(11)15)12-5-7-16-9-12;1-9(2)8-10-4-3-5-11(13-10)14-6-7-16-12(14)15;1-9(2)6-10-4-3-5-12(13-10)14-7-11(15)8-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h3,5,9,13,15H,4,6-8,10-12H2,1-2H3;5-6,8,12,14H,3-4,7,9-11H2,1-2H3;3-8,10H,9H2,1-2H3;3,5,7,11,13H,4,6,8-10H2,1-2H3;3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,6,10,12H,5,7-9H2,1-2H3;3-5,9H,6-8H2,1-2H3;3-5,9,11,15H,6-8H2,1-2H3;3-5,8-9,13-15H,6-7H2,1-2H3.
What are the key properties of 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol has a molecular weight of 2121.80 g/mol, XLogP of 18.42, 36 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol is sourced from PubChem (CID 163598174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).