methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium

C15H16NO2Y- — CID 59920112

IUPACmethyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium
SMILESCOC(=O)C1=C(C)NC(C)=[C-]C1c1ccccc1.[Y]
InChIInChI=1S/C15H16NO2.Y/c1-10-9-13(12-7-5-4-6-8-12)14(11(2)16-10)15(17)18-3;/h4-8,13,16H,1-3H3;/q-1;
InChIKeyUSZRJUMOMVXUCE-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.52
Rot. Bonds2

About methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium

methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium (PubChem CID 59920112) has the molecular formula C15H16NO2Y- and a molecular weight of 331.20 g/mol. Its IUPAC name is methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium.

Molecular Properties

Compound Namemethyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium
PubChem CID59920112
Molecular FormulaC15H16NO2Y-
Molecular Weight331.20 g/mol
Exact Mass331.02
IUPAC Namemethyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium
SMILESCOC(=O)C1=C(C)NC(C)=[C-]C1c1ccccc1.[Y]
InChIInChI=1S/C15H16NO2.Y/c1-10-9-13(12-7-5-4-6-8-12)14(11(2)16-10)15(17)18-3;/h4-8,13,16H,1-3H3;/q-1;
InChIKeyUSZRJUMOMVXUCE-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-5-methoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 15004146
methyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2728918
5-O-(2-methoxyethyl) 3-O-methyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 21364275
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 70354637
3-O-methyl 5-O-prop-2-enyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10520258
methyl (4S)-3-acetyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
CID 761584
methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 10731033
dimethyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 11645365
methyl (4S)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 698630
4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]benzoic acid
CID 19176749
methyl (4S)-6-methyl-4-phenyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 124561522

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium?
The IUPAC name of methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium (CID 59920112) is methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium.
What is the SMILES notation for methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium?
The canonical SMILES for methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium is COC(=O)C1=C(C)NC(C)=[C-]C1c1ccccc1.[Y].
What is the InChIKey of methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium?
The InChIKey is USZRJUMOMVXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO2.Y/c1-10-9-13(12-7-5-4-6-8-12)14(11(2)16-10)15(17)18-3;/h4-8,13,16H,1-3H3;/q-1;.
What are the key properties of methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium?
methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium has a molecular weight of 331.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium is sourced from PubChem (CID 59920112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).