N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

C30H22F3N3O2 — CID 24952426

IUPACN-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C30H22F3N3O2/c1-18-11-12-23(35-28(37)20-9-6-10-22(13-20)30(31,32)33)15-24(18)25-14-21-17-34-26(19-7-4-3-5-8-19)16-27(21)36(2)29(25)38/h3-17H,1-2H3,(H,35,37)
InChIKeyILAHSXAFQADHGK-UHFFFAOYSA-N
MW513.52 g/mol
LogP6.85
Rot. Bonds4

About N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24952426) has the molecular formula C30H22F3N3O2 and a molecular weight of 513.52 g/mol. Its IUPAC name is N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID24952426
Molecular FormulaC30H22F3N3O2
Molecular Weight513.52 g/mol
Exact Mass513.17
IUPAC NameN-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C30H22F3N3O2/c1-18-11-12-23(35-28(37)20-9-6-10-22(13-20)30(31,32)33)15-24(18)25-14-21-17-34-26(19-7-4-3-5-8-19)16-27(21)36(2)29(25)38/h3-17H,1-2H3,(H,35,37)
InChIKeyILAHSXAFQADHGK-UHFFFAOYSA-N
XLogP6.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.52
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 24952426) is N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(-c3ccccc3)cc2n(C)c1=O.
What is the InChIKey of N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ILAHSXAFQADHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N3O2/c1-18-11-12-23(35-28(37)20-9-6-10-22(13-20)30(31,32)33)15-24(18)25-14-21-17-34-26(19-7-4-3-5-8-19)16-27(21)36(2)29(25)38/h3-17H,1-2H3,(H,35,37).
What are the key properties of N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 513.52 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-methyl-2-oxo-7-phenyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24952426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).