N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide

C21H16ClF3N2O3 — CID 71542250

IUPACN-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide
SMILESCn1c(C(F)(F)F)cc(C(=O)NCc2cccc(-c3ccc(Cl)cc3)c2)c(O)c1=O
InChIInChI=1S/C21H16ClF3N2O3/c1-27-17(21(23,24)25)10-16(18(28)20(27)30)19(29)26-11-12-3-2-4-14(9-12)13-5-7-15(22)8-6-13/h2-10,28H,11H2,1H3,(H,26,29)
InChIKeyHMZYUBJCQJIPAW-UHFFFAOYSA-N
MW436.82 g/mol
LogP4.36
Rot. Bonds4

About N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide

N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 71542250) has the molecular formula C21H16ClF3N2O3 and a molecular weight of 436.82 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID71542250
Molecular FormulaC21H16ClF3N2O3
Molecular Weight436.82 g/mol
Exact Mass436.08
IUPAC NameN-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide
SMILESCn1c(C(F)(F)F)cc(C(=O)NCc2cccc(-c3ccc(Cl)cc3)c2)c(O)c1=O
InChIInChI=1S/C21H16ClF3N2O3/c1-27-17(21(23,24)25)10-16(18(28)20(27)30)19(29)26-11-12-3-2-4-14(9-12)13-5-7-15(22)8-6-13/h2-10,28H,11H2,1H3,(H,26,29)
InChIKeyHMZYUBJCQJIPAW-UHFFFAOYSA-N
XLogP4.36
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide (CID 71542250) is N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide is Cn1c(C(F)(F)F)cc(C(=O)NCc2cccc(-c3ccc(Cl)cc3)c2)c(O)c1=O.
What is the InChIKey of N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is HMZYUBJCQJIPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3/c1-27-17(21(23,24)25)10-16(18(28)20(27)30)19(29)26-11-12-3-2-4-14(9-12)13-5-7-15(22)8-6-13/h2-10,28H,11H2,1H3,(H,26,29).
What are the key properties of N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide?
N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 436.82 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 71542250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).