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

C20H15F2N3O2 — CID 53382811

IUPACmethyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1cccc(F)c1
InChIInChI=1S/C20H15F2N3O2/c1-27-20(26)17-11-25(15-7-5-13(21)6-8-15)19(24)16(10-23)18(17)12-3-2-4-14(22)9-12/h2-9,11,18H,24H2,1H3
InChIKeyKXHIHEXLDSBHCB-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.32
Rot. Bonds3

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

methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate (PubChem CID 53382811) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate
PubChem CID53382811
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Namemethyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1cccc(F)c1
InChIInChI=1S/C20H15F2N3O2/c1-27-20(26)17-11-25(15-7-5-13(21)6-8-15)19(24)16(10-23)18(17)12-3-2-4-14(22)9-12/h2-9,11,18H,24H2,1H3
InChIKeyKXHIHEXLDSBHCB-UHFFFAOYSA-N
XLogP3.32
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate (CID 53382811) is methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate is COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)C1c1cccc(F)c1.
What is the InChIKey of methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate?
The InChIKey is KXHIHEXLDSBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-27-20(26)17-11-25(15-7-5-13(21)6-8-15)19(24)16(10-23)18(17)12-3-2-4-14(22)9-12/h2-9,11,18H,24H2,1H3.
What are the key properties of methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate?
methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 3.32, 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-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate is sourced from PubChem (CID 53382811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).