2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide

C20H20F3N3O3 — CID 158894130

About 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide

2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 158894130) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
• PubChem CID: 158894130
• Molecular Formula: C20H20F3N3O3
• Molecular Weight: 407.39 g/mol
• Exact Mass: 407.15
• IUPAC Name: 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
• SMILES: C[C@@H](Oc1ccc(CNC(=O)c2ccnc(CC(=O)C3CC3)c2)cn1)C(F)(F)F
• InChI: InChI=1S/C20H20F3N3O3/c1-12(20(21,22)23)29-18-5-2-13(10-25-18)11-26-19(28)15-6-7-24-16(8-15)9-17(27)14-3-4-14/h2,5-8,10,12,14H,3-4,9,11H2,1H3,(H,26,28)/t12-/m1/s1
• InChIKey: JEPRFYBADIWUJK-GFCCVEGCSA-N
• XLogP: 3.26
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.39
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide?

The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 158894130) is 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide is C[C@@H](Oc1ccc(CNC(=O)c2ccnc(CC(=O)C3CC3)c2)cn1)C(F)(F)F.

What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide?

The InChIKey is JEPRFYBADIWUJK-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-12(20(21,22)23)29-18-5-2-13(10-25-18)11-26-19(28)15-6-7-24-16(8-15)9-17(27)14-3-4-14/h2,5-8,10,12,14H,3-4,9,11H2,1H3,(H,26,28)/t12-/m1/s1.

What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide?

2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 158894130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).