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

C20H16FN3O2 — CID 53382807

IUPACmethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C20H16FN3O2/c1-26-20(25)17-12-24(15-9-7-14(21)8-10-15)19(23)16(11-22)18(17)13-5-3-2-4-6-13/h2-10,12,18H,23H2,1H3
InChIKeySYOYURZMOOGQSM-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.18
Rot. Bonds3

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

methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 53382807) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID53382807
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Namemethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C20H16FN3O2/c1-26-20(25)17-12-24(15-9-7-14(21)8-10-15)19(23)16(11-22)18(17)13-5-3-2-4-6-13/h2-10,12,18H,23H2,1H3
InChIKeySYOYURZMOOGQSM-UHFFFAOYSA-N
XLogP3.18
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.18
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-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate (CID 53382807) is methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate is COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is SYOYURZMOOGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-26-20(25)17-12-24(15-9-7-14(21)8-10-15)19(23)16(11-22)18(17)13-5-3-2-4-6-13/h2-10,12,18H,23H2,1H3.
What are the key properties of methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 349.37 g/mol, XLogP of 3.18, 3 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-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 53382807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).