N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide

C26H22F4N2O5 — CID 148707251

About N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide

N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide (PubChem CID 148707251) has the molecular formula C26H22F4N2O5 and a molecular weight of 518.46 g/mol. Its IUPAC name is N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide
• PubChem CID: 148707251
• Molecular Formula: C26H22F4N2O5
• Molecular Weight: 518.46 g/mol
• Exact Mass: 518.15
• IUPAC Name: N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide
• SMILES: COc1cc(OC(F)(F)F)ccc1Oc1cc([C@H]2C[C@@H]2C)ncc1C(=O)Nc1ccc(F)c(C(C)=O)c1
• InChI: InChI=1S/C26H22F4N2O5/c1-13-8-17(13)21-11-23(36-22-7-5-16(10-24(22)35-3)37-26(28,29)30)19(12-31-21)25(34)32-15-4-6-20(27)18(9-15)14(2)33/h4-7,9-13,17H,8H2,1-3H3,(H,32,34)/t13-,17-/m0/s1
• InChIKey: NWNKADRABJGBKR-GUYCJALGSA-N
• XLogP: 6.50
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.46
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide?

The IUPAC name of N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide (CID 148707251) is N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide.

What is the SMILES notation for N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide?

The canonical SMILES for N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc([C@H]2C[C@@H]2C)ncc1C(=O)Nc1ccc(F)c(C(C)=O)c1.

What is the InChIKey of N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide?

The InChIKey is NWNKADRABJGBKR-GUYCJALGSA-N. The full InChI is InChI=1S/C26H22F4N2O5/c1-13-8-17(13)21-11-23(36-22-7-5-16(10-24(22)35-3)37-26(28,29)30)19(12-31-21)25(34)32-15-4-6-20(27)18(9-15)14(2)33/h4-7,9-13,17H,8H2,1-3H3,(H,32,34)/t13-,17-/m0/s1.

What are the key properties of N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide?

N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide has a molecular weight of 518.46 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 148707251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).