1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide

C18H28N2O2 — CID 118790898

IUPAC1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)n1C
InChIInChI=1S/C18H28N2O2/c1-12-7-14(21)8-15(20(12)6)16(22)19-13-9-17(2,3)11-18(4,5)10-13/h7-8,13H,9-11H2,1-6H3,(H,19,22)
InChIKeyCHXRKJGLOUCGLH-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.03
Rot. Bonds2

About 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide

1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 118790898) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide
PubChem CID118790898
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)n1C
InChIInChI=1S/C18H28N2O2/c1-12-7-14(21)8-15(20(12)6)16(22)19-13-9-17(2,3)11-18(4,5)10-13/h7-8,13H,9-11H2,1-6H3,(H,19,22)
InChIKeyCHXRKJGLOUCGLH-UHFFFAOYSA-N
XLogP3.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 125167333
6-methyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide
CID 103933010
N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 118772051
4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107676803
N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide
CID 113353990
2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966079
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965099
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107034256
6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridazine-5-carboxamide
CID 23566951
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide (CID 118790898) is 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)n1C.
What is the InChIKey of 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is CHXRKJGLOUCGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-7-14(21)8-15(20(12)6)16(22)19-13-9-17(2,3)11-18(4,5)10-13/h7-8,13H,9-11H2,1-6H3,(H,19,22).
What are the key properties of 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide?
1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 118790898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).