methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate

C24H24N4O3 — CID 53382829

IUPACmethyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-30-24(29)21-16-28(19-9-7-18(8-10-19)27-11-13-31-14-12-27)23(26)20(15-25)22(21)17-5-3-2-4-6-17/h2-10,16,22H,11-14,26H2,1H3
InChIKeyOJJIWENUUXFAKV-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.88
Rot. Bonds4

About methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate

methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 53382829) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID53382829
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Namemethyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-30-24(29)21-16-28(19-9-7-18(8-10-19)27-11-13-31-14-12-27)23(26)20(15-25)22(21)17-5-3-2-4-6-17/h2-10,16,22H,11-14,26H2,1H3
InChIKeyOJJIWENUUXFAKV-UHFFFAOYSA-N
XLogP2.88
TPSA91.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate (CID 53382829) is methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate is COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is OJJIWENUUXFAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-24(29)21-16-28(19-9-7-18(8-10-19)27-11-13-31-14-12-27)23(26)20(15-25)22(21)17-5-3-2-4-6-17/h2-10,16,22H,11-14,26H2,1H3.
What are the key properties of methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate?
methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-cyano-1-(4-morpholin-4-ylphenyl)-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 53382829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).