N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C28H30F3N3O7 — CID 145146008

About N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 145146008) has the molecular formula C28H30F3N3O7 and a molecular weight of 577.56 g/mol. Its IUPAC name is N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
• PubChem CID: 145146008
• Molecular Formula: C28H30F3N3O7
• Molecular Weight: 577.56 g/mol
• Exact Mass: 577.20
• IUPAC Name: N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
• SMILES: COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(=O)n(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OCCO
• InChI: InChI=1S/C28H30F3N3O7/c1-26(2)15-41-24-18(26)12-21(33-23(24)17-6-8-22(36)34(3)13-17)27(38,28(29,30)31)14-32-25(37)16-5-7-19(40-10-9-35)20(11-16)39-4/h5-8,11-13,35,38H,9-10,14-15H2,1-4H3,(H,32,37)
• InChIKey: DDGXZBARLDGTHR-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 132.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.56
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The IUPAC name of N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 145146008) is N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

What is the SMILES notation for N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The canonical SMILES for N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(=O)n(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OCCO.

What is the InChIKey of N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The InChIKey is DDGXZBARLDGTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N3O7/c1-26(2)15-41-24-18(26)12-21(33-23(24)17-6-8-22(36)34(3)13-17)27(38,28(29,30)31)14-32-25(37)16-5-7-19(40-10-9-35)20(11-16)39-4/h5-8,11-13,35,38H,9-10,14-15H2,1-4H3,(H,32,37).

What are the key properties of N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 577.56 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 145146008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).