6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide

C26H21F3N4O3 — CID 176741321

About 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide

6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 176741321) has the molecular formula C26H21F3N4O3 and a molecular weight of 494.47 g/mol. Its IUPAC name is 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 176741321
• Molecular Formula: C26H21F3N4O3
• Molecular Weight: 494.47 g/mol
• Exact Mass: 494.16
• IUPAC Name: 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
• SMILES: CC(=O)c1c(C)c2cc(C(=O)N[C@@H](C)c3ccccn3)cnc2n(-c2ccc(C(F)(F)F)cc2)c1=O
• InChI: InChI=1S/C26H21F3N4O3/c1-14-20-12-17(24(35)32-15(2)21-6-4-5-11-30-21)13-31-23(20)33(25(36)22(14)16(3)34)19-9-7-18(8-10-19)26(27,28)29/h4-13,15H,1-3H3,(H,32,35)/t15-/m0/s1
• InChIKey: OSXGQTGIMVJYEE-HNNXBMFYSA-N
• XLogP: 4.80
• TPSA: 93.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.47
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 176741321) is 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide is CC(=O)c1c(C)c2cc(C(=O)N[C@@H](C)c3ccccn3)cnc2n(-c2ccc(C(F)(F)F)cc2)c1=O.

What is the InChIKey of 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is OSXGQTGIMVJYEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H21F3N4O3/c1-14-20-12-17(24(35)32-15(2)21-6-4-5-11-30-21)13-31-23(20)33(25(36)22(14)16(3)34)19-9-7-18(8-10-19)26(27,28)29/h4-13,15H,1-3H3,(H,32,35)/t15-/m0/s1.

What are the key properties of 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide?

6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 494.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 176741321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).