7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide

C24H18F3N3O3 — CID 56951563

IUPAC7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CO)cc21
InChIInChI=1S/C24H18F3N3O3/c1-30-12-19(22(32)18-11-28-16(13-31)10-21(18)30)23(33)29-15-7-8-17(14-5-3-2-4-6-14)20(9-15)24(25,26)27/h2-12,31H,13H2,1H3,(H,29,33)
InChIKeyRUZAXAPUUTWBTF-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.36
Rot. Bonds4

About 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide

7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide (PubChem CID 56951563) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
PubChem CID56951563
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Name7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CO)cc21
InChIInChI=1S/C24H18F3N3O3/c1-30-12-19(22(32)18-11-28-16(13-31)10-21(18)30)23(33)29-15-7-8-17(14-5-3-2-4-6-14)20(9-15)24(25,26)27/h2-12,31H,13H2,1H3,(H,29,33)
InChIKeyRUZAXAPUUTWBTF-UHFFFAOYSA-N
XLogP4.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide 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 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide (CID 56951563) is 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CO)cc21.
What is the InChIKey of 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide?
The InChIKey is RUZAXAPUUTWBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-30-12-19(22(32)18-11-28-16(13-31)10-21(18)30)23(33)29-15-7-8-17(14-5-3-2-4-6-14)20(9-15)24(25,26)27/h2-12,31H,13H2,1H3,(H,29,33).
What are the key properties of 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide?
7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide has a molecular weight of 453.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 56951563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).