N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide

C22H16F6N4O6 — CID 137406324

About N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide

N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 137406324) has the molecular formula C22H16F6N4O6 and a molecular weight of 546.38 g/mol. Its IUPAC name is N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 137406324
• Molecular Formula: C22H16F6N4O6
• Molecular Weight: 546.38 g/mol
• Exact Mass: 546.10
• IUPAC Name: N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: COc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(OC)c1C(=O)Nc1ccc(C(N)=O)nc1
• InChI: InChI=1S/C22H16F6N4O6/c1-35-14-7-11(38-22(26,27)28)4-6-13(14)37-15-9-31-18(21(23,24)25)17(36-2)16(15)20(34)32-10-3-5-12(19(29)33)30-8-10/h3-9H,1-2H3,(H2,29,33)(H,32,34)
• InChIKey: MCQISWFAHAWUIL-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 134.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.38
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 137406324) is N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(OC)c1C(=O)Nc1ccc(C(N)=O)nc1.

What is the InChIKey of N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is MCQISWFAHAWUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N4O6/c1-35-14-7-11(38-22(26,27)28)4-6-13(14)37-15-9-31-18(21(23,24)25)17(36-2)16(15)20(34)32-10-3-5-12(19(29)33)30-8-10/h3-9H,1-2H3,(H2,29,33)(H,32,34).

What are the key properties of N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide?

N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 546.38 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 137406324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).