6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one

C18H28N2O2 — CID 139553819

IUPAC6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1CNC1CCCC1
InChIInChI=1S/C18H28N2O2/c1-13-11-17(14-7-3-2-4-8-14)20(22)18(21)16(13)12-19-15-9-5-6-10-15/h11,14-15,19,22H,2-10,12H2,1H3
InChIKeyIDCOEROKAMDSSY-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.47
Rot. Bonds4

About 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one

6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one (PubChem CID 139553819) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one
PubChem CID139553819
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1CNC1CCCC1
InChIInChI=1S/C18H28N2O2/c1-13-11-17(14-7-3-2-4-8-14)20(22)18(21)16(13)12-19-15-9-5-6-10-15/h11,14-15,19,22H,2-10,12H2,1H3
InChIKeyIDCOEROKAMDSSY-UHFFFAOYSA-N
XLogP3.47
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one
CID 139553638
6-Cyclohexyl-1-hydroxy-4-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 139553642
6-Cyclohexyl-3-[(heptylamino)methyl]-1-hydroxy-4-methylpyridin-2-one
CID 139553643
6-Cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one
CID 139553704
6-Cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one
CID 139553817
6-Cyclohexyl-4-methyl-1-[1-(methylamino)ethoxy]pyridin-2-one
CID 132047703
3-[[2-(3-But-3-ynyldiazirin-3-yl)ethylamino]methyl]-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 139553703
6-Cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol
CID 162221947
N-but-3-en-2-yl-6-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide;scandium;dihydrate
CID 168205616
N-cyclopentyl-2-hydroxy-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51055104
(6R)-N-cyclopentyl-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322984
(6S)-N-cyclopentyl-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322985

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one (CID 139553819) is 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one is Cc1cc(C2CCCCC2)n(O)c(=O)c1CNC1CCCC1.
What is the InChIKey of 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is IDCOEROKAMDSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-11-17(14-7-3-2-4-8-14)20(22)18(21)16(13)12-19-15-9-5-6-10-15/h11,14-15,19,22H,2-10,12H2,1H3.
What are the key properties of 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one?
6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 304.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 139553819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).