3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide

C25H21F3N4O2 — CID 67564367

IUPAC3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H21F3N4O2/c1-29-22(34)13-12-17-14-19(25(26,27)28)23-20(33)15-21(30-16-8-4-2-5-9-16)32(24(23)31-17)18-10-6-3-7-11-18/h2-11,14-15,30H,12-13H2,1H3,(H,29,34)
InChIKeyHAPVHIPMCAUMEX-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.83
Rot. Bonds6

About 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide

3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide (PubChem CID 67564367) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide
PubChem CID67564367
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC Name3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H21F3N4O2/c1-29-22(34)13-12-17-14-19(25(26,27)28)23-20(33)15-21(30-16-8-4-2-5-9-16)32(24(23)31-17)18-10-6-3-7-11-18/h2-11,14-15,30H,12-13H2,1H3,(H,29,34)
InChIKeyHAPVHIPMCAUMEX-UHFFFAOYSA-N
XLogP4.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide?
The IUPAC name of 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide (CID 67564367) is 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide?
The canonical SMILES for 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide is CNC(=O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide?
The InChIKey is HAPVHIPMCAUMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c1-29-22(34)13-12-17-14-19(25(26,27)28)23-20(33)15-21(30-16-8-4-2-5-9-16)32(24(23)31-17)18-10-6-3-7-11-18/h2-11,14-15,30H,12-13H2,1H3,(H,29,34).
What are the key properties of 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide?
3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide has a molecular weight of 466.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 67564367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).