N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide

C26H28N2O2 — CID 57063054

IUPACN-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide
SMILESC=CCOc1cc(C)nc(-c2ccccc2)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C26H28N2O2/c1-5-16-30-22-17-18(4)27-25(21-12-9-8-10-13-21)23(22)26(29)28-24-19(6-2)14-11-15-20(24)7-3/h5,8-15,17H,1,6-7,16H2,2-4H3,(H,28,29)
InChIKeyYLGGBFUIHMVYTG-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.00
Rot. Bonds8

About N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide

N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide (PubChem CID 57063054) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide
PubChem CID57063054
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide
SMILESC=CCOc1cc(C)nc(-c2ccccc2)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C26H28N2O2/c1-5-16-30-22-17-18(4)27-25(21-12-9-8-10-13-21)23(22)26(29)28-24-19(6-2)14-11-15-20(24)7-3/h5,8-15,17H,1,6-7,16H2,2-4H3,(H,28,29)
InChIKeyYLGGBFUIHMVYTG-UHFFFAOYSA-N
XLogP6.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide
CID 57220881
N-(2,3-dimethylphenyl)-2-ethyl-6-methyl-4-prop-2-enoxypyridine-3-carboxamide
CID 56979971
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 16644401
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
[2-(2,6-diethylanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617601
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
CID 102536835
N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913659
4-cyclohexyl-N-(2,6-diethylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 14128595
N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
CID 54478269

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide (CID 57063054) is N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide is C=CCOc1cc(C)nc(-c2ccccc2)c1C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide?
The InChIKey is YLGGBFUIHMVYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-5-16-30-22-17-18(4)27-25(21-12-9-8-10-13-21)23(22)26(29)28-24-19(6-2)14-11-15-20(24)7-3/h5,8-15,17H,1,6-7,16H2,2-4H3,(H,28,29).
What are the key properties of N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide?
N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide is sourced from PubChem (CID 57063054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).