6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide

C29H27F3N4O3 — CID 118576865

About 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide

6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118576865) has the molecular formula C29H27F3N4O3 and a molecular weight of 536.55 g/mol. Its IUPAC name is 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 118576865
• Molecular Formula: C29H27F3N4O3
• Molecular Weight: 536.55 g/mol
• Exact Mass: 536.20
• IUPAC Name: 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide
• SMILES: CCNc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC2(C(F)(F)F)CC2)c1
• InChI: InChI=1S/C29H27F3N4O3/c1-4-34-24-20(18-6-5-7-19(14-18)25(37)36-28(12-13-28)29(30,31)32)15-21-22(26(38)33-3)23(39-27(21)35-24)17-10-8-16(2)9-11-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,33,38)(H,34,35)(H,36,37)
• InChIKey: LLUHDHUMUXSFEZ-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 96.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.55
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide (CID 118576865) is 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide is CCNc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC2(C(F)(F)F)CC2)c1.

What is the InChIKey of 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is LLUHDHUMUXSFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O3/c1-4-34-24-20(18-6-5-7-19(14-18)25(37)36-28(12-13-28)29(30,31)32)15-21-22(26(38)33-3)23(39-27(21)35-24)17-10-8-16(2)9-11-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,33,38)(H,34,35)(H,36,37).

What are the key properties of 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide?

6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 536.55 g/mol, XLogP of 6.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(ethylamino)-N-methyl-2-(4-methylphenyl)-5-[3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118576865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).