1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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

C48H71N7O8 — CID 158532908

IUPAC1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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([C@H]2CC[C@H]2O)c1=O.CC(C)Nc1cccnc1OC(CO)CO

InChIInChI=1S/C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-9(2)8-10-4-3-7-14(13(10)16)11-5-6-12(11)15;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/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3;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/t11-,12+;;;/m0.../s1

InChIKeyHNOZYMKSNJNKHT-XRBIFONESA-N

MW874.14 g/mol

LogP6.07

Rot. Bonds15

About 1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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 158532908) has the molecular formula C48H71N7O8 and a molecular weight of 874.14 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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 Name	1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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	158532908
Molecular Formula	C48H71N7O8
Molecular Weight	874.14 g/mol
Exact Mass	873.54
IUPAC Name	1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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
SMILES	CC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Nc1cccnc1OC(CO)CO
InChI	InChI=1S/C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-9(2)8-10-4-3-7-14(13(10)16)11-5-6-12(11)15;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/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3;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/t11-,12+;;;/m0.../s1
InChIKey	HNOZYMKSNJNKHT-XRBIFONESA-N
XLogP	6.07
TPSA	195.63 Å²
H-Bond Donors	5
H-Bond Acceptors	14
Rotatable Bonds	15
Heavy Atoms	63
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	874.14
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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 158532908) is 1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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([C@H]2CC[C@H]2O)c1=O.CC(C)Nc1cccnc1OC(CO)CO.

What is the InChIKey of 1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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 HNOZYMKSNJNKHT-XRBIFONESA-N. The full InChI is InChI=1S/C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-9(2)8-10-4-3-7-14(13(10)16)11-5-6-12(11)15;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/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3;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/t11-,12+;;;/m0.../s1.

What are the key properties of 1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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?

Where does this data come from?

All data for 1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)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 158532908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).