N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

C20H23F2N3O4 — CID 158070250

About N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (PubChem CID 158070250) has the molecular formula C20H23F2N3O4 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
• PubChem CID: 158070250
• Molecular Formula: C20H23F2N3O4
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.17
• IUPAC Name: N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
• SMILES: COc1nc(OCC(F)F)ccc1C(C)NC(=O)c1cc(C)nc(CC(C)=O)c1
• InChI: InChI=1S/C20H23F2N3O4/c1-11-7-14(9-15(23-11)8-12(2)26)19(27)24-13(3)16-5-6-18(25-20(16)28-4)29-10-17(21)22/h5-7,9,13,17H,8,10H2,1-4H3,(H,24,27)
• InChIKey: FLSUFVIMRZVYJX-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 90.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (CID 158070250) is N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.

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

The canonical SMILES for N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is COc1nc(OCC(F)F)ccc1C(C)NC(=O)c1cc(C)nc(CC(C)=O)c1.

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

The InChIKey is FLSUFVIMRZVYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4/c1-11-7-14(9-15(23-11)8-12(2)26)19(27)24-13(3)16-5-6-18(25-20(16)28-4)29-10-17(21)22/h5-7,9,13,17H,8,10H2,1-4H3,(H,24,27).

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

N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 158070250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).