methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate

C26H20FN3O2 — CID 53382815

IUPACmethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H20FN3O2/c1-32-26(31)23-16-30(21-13-11-20(27)12-14-21)25(29)22(15-28)24(23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,16,24H,29H2,1H3
InChIKeyIXYFATODGBSIBF-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.85
Rot. Bonds4

About methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate

methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate (PubChem CID 53382815) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate
PubChem CID53382815
Molecular FormulaC26H20FN3O2
Molecular Weight425.46 g/mol
Exact Mass425.15
IUPAC Namemethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H20FN3O2/c1-32-26(31)23-16-30(21-13-11-20(27)12-14-21)25(29)22(15-28)24(23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,16,24H,29H2,1H3
InChIKeyIXYFATODGBSIBF-UHFFFAOYSA-N
XLogP4.85
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate (CID 53382815) is methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate is COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate?
The InChIKey is IXYFATODGBSIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c1-32-26(31)23-16-30(21-13-11-20(27)12-14-21)25(29)22(15-28)24(23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,16,24H,29H2,1H3.
What are the key properties of methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate?
methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate has a molecular weight of 425.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate is sourced from PubChem (CID 53382815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).