cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile

C132H185F4N15O12 — CID 161028945

IUPACcis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile
SMILESCC(C)Cc1cccn(-c2nn(C)cc2F)c1=O.CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.CC(C)Cc1cccn(C2CCCC(C#N)C2)c1=O.CC(C)Cc1cccn(C2CCCC(O)C2)c1=O.CC(C)Cc1cccn([C@@H]2CCC[C@H](C#N)C2)c1=O.CC(C)Cc1cccn([C@@H]2CCC[C@H](O)C2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](C#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](O)C2)c1=O.CC(C)c1cn(CCCO)c2ncc(F)cc12
InChIInChI=1S/3C16H22N2O.3C15H23NO2.C13H17F2NO.C13H16FN3O.C13H17FN2O/c3*1-12(2)9-14-6-4-8-18(16(14)19)15-7-3-5-13(10-15)11-17;3*1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11;1-9(2)7-10-5-4-6-17(13(10)18)12-11(14)8-16(3)15-12;1-9(2)12-8-16(4-3-5-17)13-11(12)6-10(14)7-15-13/h3*4,6,8,12-13,15H,3,5,7,9-10H2,1-2H3;3*4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;3-5,9,11H,6-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;6-9,17H,3-5H2,1-2H3/t2*13-,15+;;2*13-,14+;;;;/m10.10..../s1
InChIKeyTZITUTZTLJEENC-LLMLVTBKSA-N
MW2250.02 g/mol
LogP25.08
Rot. Bonds28

About cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile

cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile (PubChem CID 161028945) has the molecular formula C132H185F4N15O12 and a molecular weight of 2250.02 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile
PubChem CID161028945
Molecular FormulaC132H185F4N15O12
Molecular Weight2250.02 g/mol
Exact Mass2248.43
IUPAC Namecis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile
SMILESCC(C)Cc1cccn(-c2nn(C)cc2F)c1=O.CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.CC(C)Cc1cccn(C2CCCC(C#N)C2)c1=O.CC(C)Cc1cccn(C2CCCC(O)C2)c1=O.CC(C)Cc1cccn([C@@H]2CCC[C@H](C#N)C2)c1=O.CC(C)Cc1cccn([C@@H]2CCC[C@H](O)C2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](C#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](O)C2)c1=O.CC(C)c1cn(CCCO)c2ncc(F)cc12
InChIInChI=1S/3C16H22N2O.3C15H23NO2.C13H17F2NO.C13H16FN3O.C13H17FN2O/c3*1-12(2)9-14-6-4-8-18(16(14)19)15-7-3-5-13(10-15)11-17;3*1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11;1-9(2)7-10-5-4-6-17(13(10)18)12-11(14)8-16(3)15-12;1-9(2)12-8-16(4-3-5-17)13-11(12)6-10(14)7-15-13/h3*4,6,8,12-13,15H,3,5,7,9-10H2,1-2H3;3*4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;3-5,9,11H,6-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;6-9,17H,3-5H2,1-2H3/t2*13-,15+;;2*13-,14+;;;;/m10.10..../s1
InChIKeyTZITUTZTLJEENC-LLMLVTBKSA-N
XLogP25.08
TPSA363.93 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms163
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.02
LogP ≤ 525.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile?
The IUPAC name of cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile (CID 161028945) is cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile?
The canonical SMILES for cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile is CC(C)Cc1cccn(-c2nn(C)cc2F)c1=O.CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.CC(C)Cc1cccn(C2CCCC(C#N)C2)c1=O.CC(C)Cc1cccn(C2CCCC(O)C2)c1=O.CC(C)Cc1cccn([C@@H]2CCC[C@H](C#N)C2)c1=O.CC(C)Cc1cccn([C@@H]2CCC[C@H](O)C2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](C#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](O)C2)c1=O.CC(C)c1cn(CCCO)c2ncc(F)cc12.
What is the InChIKey of cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile?
The InChIKey is TZITUTZTLJEENC-LLMLVTBKSA-N. The full InChI is InChI=1S/3C16H22N2O.3C15H23NO2.C13H17F2NO.C13H16FN3O.C13H17FN2O/c3*1-12(2)9-14-6-4-8-18(16(14)19)15-7-3-5-13(10-15)11-17;3*1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11;1-9(2)7-10-5-4-6-17(13(10)18)12-11(14)8-16(3)15-12;1-9(2)12-8-16(4-3-5-17)13-11(12)6-10(14)7-15-13/h3*4,6,8,12-13,15H,3,5,7,9-10H2,1-2H3;3*4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;3-5,9,11H,6-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;6-9,17H,3-5H2,1-2H3/t2*13-,15+;;2*13-,14+;;;;/m10.10..../s1.
What are the key properties of cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile?
cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile has a molecular weight of 2250.02 g/mol, XLogP of 25.08, 28 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 161028945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).