2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

C20H20F3N3O3 — CID 149045512

About 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 149045512) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• PubChem CID: 149045512
• Molecular Formula: C20H20F3N3O3
• Molecular Weight: 407.39 g/mol
• Exact Mass: 407.15
• IUPAC Name: 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• SMILES: CC(NC(=O)c1ccnc(CC(=O)C2CC2)c1)c1ccc(OCC(F)(F)F)nc1
• InChI: InChI=1S/C20H20F3N3O3/c1-12(15-4-5-18(25-10-15)29-11-20(21,22)23)26-19(28)14-6-7-24-16(8-14)9-17(27)13-2-3-13/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,26,28)
• InChIKey: QIKYDTPOPGRNIQ-UHFFFAOYSA-N
• XLogP: 3.43
• 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	3.43
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-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 149045512) is 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(CC(=O)C2CC2)c1)c1ccc(OCC(F)(F)F)nc1.

What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The InChIKey is QIKYDTPOPGRNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-12(15-4-5-18(25-10-15)29-11-20(21,22)23)26-19(28)14-6-7-24-16(8-14)9-17(27)13-2-3-13/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,26,28).

What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 3.43, 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-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 149045512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).