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

C23H19F3N4O5 — CID 90848760

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

N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 90848760) has the molecular formula C23H19F3N4O5 and a molecular weight of 488.42 g/mol. Its IUPAC name is N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
• PubChem CID: 90848760
• Molecular Formula: C23H19F3N4O5
• Molecular Weight: 488.42 g/mol
• Exact Mass: 488.13
• IUPAC Name: N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
• SMILES: O=C(NC1(C(=O)NCc2ccc(Oc3ccc(O)cc3C(F)(F)F)cn2)CC1)c1cccc(=O)[nH]1
• InChI: InChI=1S/C23H19F3N4O5/c24-23(25,26)16-10-14(31)5-7-18(16)35-15-6-4-13(27-12-15)11-28-21(34)22(8-9-22)30-20(33)17-2-1-3-19(32)29-17/h1-7,10,12,31H,8-9,11H2,(H,28,34)(H,29,32)(H,30,33)
• InChIKey: ZDQVLWCQKZEABI-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 133.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.42
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide (CID 90848760) is N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide.

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

The canonical SMILES for N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NC1(C(=O)NCc2ccc(Oc3ccc(O)cc3C(F)(F)F)cn2)CC1)c1cccc(=O)[nH]1.

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

The InChIKey is ZDQVLWCQKZEABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O5/c24-23(25,26)16-10-14(31)5-7-18(16)35-15-6-4-13(27-12-15)11-28-21(34)22(8-9-22)30-20(33)17-2-1-3-19(32)29-17/h1-7,10,12,31H,8-9,11H2,(H,28,34)(H,29,32)(H,30,33).

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

N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 488.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 90848760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).