methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C31H28N2O2 — CID 44564314

IUPACmethyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(Nc2ccccc2)CC(c2ccccc2)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C31H28N2O2/c1-35-31(34)29-27(32-25-18-10-4-11-19-25)22-28(23-14-6-2-7-15-23)33(26-20-12-5-13-21-26)30(29)24-16-8-3-9-17-24/h2-21,28,30,32H,22H2,1H3
InChIKeyVJWVYCGBFCLUBC-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.92
Rot. Bonds6

About methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 44564314) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID44564314
Molecular FormulaC31H28N2O2
Molecular Weight460.58 g/mol
Exact Mass460.22
IUPAC Namemethyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(Nc2ccccc2)CC(c2ccccc2)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C31H28N2O2/c1-35-31(34)29-27(32-25-18-10-4-11-19-25)22-28(23-14-6-2-7-15-23)33(26-20-12-5-13-21-26)30(29)24-16-8-3-9-17-24/h2-21,28,30,32H,22H2,1H3
InChIKeyVJWVYCGBFCLUBC-UHFFFAOYSA-N
XLogP6.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 44564314) is methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=C(Nc2ccccc2)CC(c2ccccc2)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is VJWVYCGBFCLUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O2/c1-35-31(34)29-27(32-25-18-10-4-11-19-25)22-28(23-14-6-2-7-15-23)33(26-20-12-5-13-21-26)30(29)24-16-8-3-9-17-24/h2-21,28,30,32H,22H2,1H3.
What are the key properties of methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 460.58 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 44564314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).