6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C31H23F3N2O2 — CID 66725457

IUPAC6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccccc2)cc(C(=O)NCc2cccc3ccccc23)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H23F3N2O2/c1-20-27(22-9-3-2-4-10-22)18-28(30(38)36(20)25-15-8-14-24(17-25)31(32,33)34)29(37)35-19-23-13-7-12-21-11-5-6-16-26(21)23/h2-18H,19H2,1H3,(H,35,37)
InChIKeyKAFNJHBKTANNFI-UHFFFAOYSA-N
MW512.53 g/mol
LogP6.91
Rot. Bonds5

About 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 66725457) has the molecular formula C31H23F3N2O2 and a molecular weight of 512.53 g/mol. Its IUPAC name is 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID66725457
Molecular FormulaC31H23F3N2O2
Molecular Weight512.53 g/mol
Exact Mass512.17
IUPAC Name6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccccc2)cc(C(=O)NCc2cccc3ccccc23)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H23F3N2O2/c1-20-27(22-9-3-2-4-10-22)18-28(30(38)36(20)25-15-8-14-24(17-25)31(32,33)34)29(37)35-19-23-13-7-12-21-11-5-6-16-26(21)23/h2-18H,19H2,1H3,(H,35,37)
InChIKeyKAFNJHBKTANNFI-UHFFFAOYSA-N
XLogP6.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.53
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 66725457) is 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2ccccc2)cc(C(=O)NCc2cccc3ccccc23)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KAFNJHBKTANNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N2O2/c1-20-27(22-9-3-2-4-10-22)18-28(30(38)36(20)25-15-8-14-24(17-25)31(32,33)34)29(37)35-19-23-13-7-12-21-11-5-6-16-26(21)23/h2-18H,19H2,1H3,(H,35,37).
What are the key properties of 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 512.53 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66725457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).