2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

C21H24F3N3O3 — CID 161116148

About 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 161116148) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• PubChem CID: 161116148
• Molecular Formula: C21H24F3N3O3
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.18
• IUPAC Name: 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• SMILES: CC(C)C(=O)Cc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)F)nc2)ccn1
• InChI: InChI=1S/C21H24F3N3O3/c1-13(2)18(28)11-17-10-15(6-8-25-17)20(29)27-14(3)16-4-5-19(26-12-16)30-9-7-21(22,23)24/h4-6,8,10,12-14H,7,9,11H2,1-3H3,(H,27,29)
• InChIKey: UKIMARVYUSZGBT-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The IUPAC name of 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 161116148) is 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is CC(C)C(=O)Cc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)F)nc2)ccn1.

What is the InChIKey of 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The InChIKey is UKIMARVYUSZGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-13(2)18(28)11-17-10-15(6-8-25-17)20(29)27-14(3)16-4-5-19(26-12-16)30-9-7-21(22,23)24/h4-6,8,10,12-14H,7,9,11H2,1-3H3,(H,27,29).

What are the key properties of 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 161116148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).