6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one

C16H22N2O2 — CID 139553817

IUPAC6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one
SMILESC#CCNCc1c(C)cc(C2CCCCC2)n(O)c1=O
InChIInChI=1S/C16H22N2O2/c1-3-9-17-11-14-12(2)10-15(18(20)16(14)19)13-7-5-4-6-8-13/h1,10,13,17,20H,4-9,11H2,2H3
InChIKeyMOQWPWXIJXREML-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.16
Rot. Bonds4

About 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one

6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one (PubChem CID 139553817) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one
PubChem CID139553817
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one
SMILESC#CCNCc1c(C)cc(C2CCCCC2)n(O)c1=O
InChIInChI=1S/C16H22N2O2/c1-3-9-17-11-14-12(2)10-15(18(20)16(14)19)13-7-5-4-6-8-13/h1,10,13,17,20H,4-9,11H2,2H3
InChIKeyMOQWPWXIJXREML-UHFFFAOYSA-N
XLogP2.16
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-3-[(cyclopentylamino)methyl]-1-hydroxy-4-methylpyridin-2-one
CID 139553819
1-(cyclohexylmethyl)-6-ethyl-N-hydroxy-5-methyl-2-oxopyridine-3-carboxamide
CID 88855087
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-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125490151

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one?
The IUPAC name of 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one (CID 139553817) is 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one is C#CCNCc1c(C)cc(C2CCCCC2)n(O)c1=O.
What is the InChIKey of 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one?
The InChIKey is MOQWPWXIJXREML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-17-11-14-12(2)10-15(18(20)16(14)19)13-7-5-4-6-8-13/h1,10,13,17,20H,4-9,11H2,2H3.
What are the key properties of 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one?
6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxy-4-methyl-3-[(prop-2-ynylamino)methyl]pyridin-2-one is sourced from PubChem (CID 139553817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).