N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide

C22H26N2O2 — CID 166228286

IUPACN-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)NC1CC2CCC1CC2
InChIInChI=1S/C22H26N2O2/c1-14-12-20(25)24(18-6-4-3-5-7-18)15(2)21(14)22(26)23-19-13-16-8-10-17(19)11-9-16/h3-7,12,16-17,19H,8-11,13H2,1-2H3,(H,23,26)
InChIKeyLBFMPGLLONZUAO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.76
Rot. Bonds3

About N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide

N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 166228286) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID166228286
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)NC1CC2CCC1CC2
InChIInChI=1S/C22H26N2O2/c1-14-12-20(25)24(18-6-4-3-5-7-18)15(2)21(14)22(26)23-19-13-16-8-10-17(19)11-9-16/h3-7,12,16-17,19H,8-11,13H2,1-2H3,(H,23,26)
InChIKeyLBFMPGLLONZUAO-UHFFFAOYSA-N
XLogP3.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
CID 91040243
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 98404536
N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide
CID 122539356
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2,6-dichlorobenzamide
CID 7241697
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 40635286
N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 76754906
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
CID 82829980
N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
CID 69361041

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide (CID 166228286) is N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide is Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)NC1CC2CCC1CC2.
What is the InChIKey of N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is LBFMPGLLONZUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-12-20(25)24(18-6-4-3-5-7-18)15(2)21(14)22(26)23-19-13-16-8-10-17(19)11-9-16/h3-7,12,16-17,19H,8-11,13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide?
N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 166228286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).