(E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid

C23H21NO2 — CID 139662593

IUPAC(E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid
SMILESC/C(=C\C(c1ccccc1)(c1ccccc1)c1cccc(C)n1)C(=O)O
InChIInChI=1S/C23H21NO2/c1-17(22(25)26)16-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)21-15-9-10-18(2)24-21/h3-16H,1-2H3,(H,25,26)/b17-16+
InChIKeyZRNHNNGXBHWHKV-WUKNDPDISA-N
MW343.43 g/mol
LogP4.76
Rot. Bonds5

About (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid

(E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid (PubChem CID 139662593) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid
PubChem CID139662593
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid
SMILESC/C(=C\C(c1ccccc1)(c1ccccc1)c1cccc(C)n1)C(=O)O
InChIInChI=1S/C23H21NO2/c1-17(22(25)26)16-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)21-15-9-10-18(2)24-21/h3-16H,1-2H3,(H,25,26)/b17-16+
InChIKeyZRNHNNGXBHWHKV-WUKNDPDISA-N
XLogP4.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetyl 2-methyl-4,4,4-triphenylbut-2-enoate
CID 174813632
tert-butyl 2-methyl-4,4,4-triphenylbut-2-enoate
CID 174508646
acetic acid;bis(2-(6-methyl-2-pyridinyl)-1,1-diphenylethanolate);palladium(2+)
CID 66575146
bis(2,6-dimethylpyridine);palladium(2+);diacetate
CID 139114268
2,10-dimethylazecine
CID 126659012
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626
6-methylpyridine-2-carbonyl iodide
CID 154552361
CID 131847838
CID 131847838
2-(aminomethyl)-3-(6-methyl-2-pyridinyl)-2-phenylpropanoic acid
CID 106489334
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide
CID 149093732
3-amino-3-phenylpentane-2,4-dione
CID 70119036

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid?
The IUPAC name of (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid (CID 139662593) is (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid?
The canonical SMILES for (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid is C/C(=C\C(c1ccccc1)(c1ccccc1)c1cccc(C)n1)C(=O)O.
What is the InChIKey of (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid?
The InChIKey is ZRNHNNGXBHWHKV-WUKNDPDISA-N. The full InChI is InChI=1S/C23H21NO2/c1-17(22(25)26)16-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)21-15-9-10-18(2)24-21/h3-16H,1-2H3,(H,25,26)/b17-16+.
What are the key properties of (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid?
(E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid has a molecular weight of 343.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(6-methyl-2-pyridinyl)-4,4-diphenylbut-2-enoic acid is sourced from PubChem (CID 139662593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).