dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate

C25H28N2O4 — CID 1110893

IUPACdimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C25H28N2O4/c1-16-21(24(28)30-5)23(18-10-8-7-9-11-18)22(25(29)31-6)17(2)27(16)20-14-12-19(13-15-20)26(3)4/h7-15,23H,1-6H3
InChIKeySQOVRNRCFVRVFQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.25
Rot. Bonds5

About dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate

dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 1110893) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID1110893
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Namedimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C25H28N2O4/c1-16-21(24(28)30-5)23(18-10-8-7-9-11-18)22(25(29)31-6)17(2)27(16)20-14-12-19(13-15-20)26(3)4/h7-15,23H,1-6H3
InChIKeySQOVRNRCFVRVFQ-UHFFFAOYSA-N
XLogP4.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (CID 1110893) is dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OC)C1c1ccccc1.
What is the InChIKey of dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is SQOVRNRCFVRVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-16-21(24(28)30-5)23(18-10-8-7-9-11-18)22(25(29)31-6)17(2)27(16)20-14-12-19(13-15-20)26(3)4/h7-15,23H,1-6H3.
What are the key properties of dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 420.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1110893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).