N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide

C24H21F3N4O5 — CID 46899377

About N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide

N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 46899377) has the molecular formula C24H21F3N4O5 and a molecular weight of 502.45 g/mol. Its IUPAC name is N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
• PubChem CID: 46899377
• Molecular Formula: C24H21F3N4O5
• Molecular Weight: 502.45 g/mol
• Exact Mass: 502.15
• IUPAC Name: N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
• SMILES: COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cccc(=O)[nH]4)CC3)nc2)c(C(F)(F)F)c1
• InChI: InChI=1S/C24H21F3N4O5/c1-35-15-7-8-19(17(11-15)24(25,26)27)36-16-6-5-14(28-13-16)12-29-22(34)23(9-10-23)31-21(33)18-3-2-4-20(32)30-18/h2-8,11,13H,9-10,12H2,1H3,(H,29,34)(H,30,32)(H,31,33)
• InChIKey: VDWAAPSVGVIJQF-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 122.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.45
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide?

The IUPAC name of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide (CID 46899377) is N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide?

The canonical SMILES for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide is COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cccc(=O)[nH]4)CC3)nc2)c(C(F)(F)F)c1.

What is the InChIKey of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide?

The InChIKey is VDWAAPSVGVIJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O5/c1-35-15-7-8-19(17(11-15)24(25,26)27)36-16-6-5-14(28-13-16)12-29-22(34)23(9-10-23)31-21(33)18-3-2-4-20(32)30-18/h2-8,11,13H,9-10,12H2,1H3,(H,29,34)(H,30,32)(H,31,33).

What are the key properties of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide?

N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 502.45 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 46899377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).