methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C21H19F2NO3 — CID 46049436

IUPACmethyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(Cc2cccc(F)c2)C(=O)CC1c1cccc(F)c1
InChIInChI=1S/C21H19F2NO3/c1-13-20(21(26)27-2)18(15-6-4-8-17(23)10-15)11-19(25)24(13)12-14-5-3-7-16(22)9-14/h3-10,18H,11-12H2,1-2H3
InChIKeyOKSGWQZQZWMMPD-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.93
Rot. Bonds4

About methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 46049436) has the molecular formula C21H19F2NO3 and a molecular weight of 371.38 g/mol. Its IUPAC name is methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID46049436
Molecular FormulaC21H19F2NO3
Molecular Weight371.38 g/mol
Exact Mass371.13
IUPAC Namemethyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(Cc2cccc(F)c2)C(=O)CC1c1cccc(F)c1
InChIInChI=1S/C21H19F2NO3/c1-13-20(21(26)27-2)18(15-6-4-8-17(23)10-15)11-19(25)24(13)12-14-5-3-7-16(22)9-14/h3-10,18H,11-12H2,1-2H3
InChIKeyOKSGWQZQZWMMPD-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 46049436) is methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is COC(=O)C1=C(C)N(Cc2cccc(F)c2)C(=O)CC1c1cccc(F)c1.
What is the InChIKey of methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is OKSGWQZQZWMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3/c1-13-20(21(26)27-2)18(15-6-4-8-17(23)10-15)11-19(25)24(13)12-14-5-3-7-16(22)9-14/h3-10,18H,11-12H2,1-2H3.
What are the key properties of methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 371.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 46049436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).