5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid

C26H26F3N7O7S — CID 67057278

About 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid

5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid (PubChem CID 67057278) has the molecular formula C26H26F3N7O7S and a molecular weight of 637.60 g/mol. Its IUPAC name is 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid
• PubChem CID: 67057278
• Molecular Formula: C26H26F3N7O7S
• Molecular Weight: 637.60 g/mol
• Exact Mass: 637.16
• IUPAC Name: 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid
• SMILES: CCNC(=O)Nc1ncc(-c2cncc(C(=O)O)c2)c(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c1C(=O)O
• InChI: InChI=1S/C26H26F3N7O7S/c1-2-31-25(42)35-20-17(24(40)41)16(15(12-33-20)13-9-14(23(38)39)11-30-10-13)22-34-19(26(27,28)29)18(44-22)21(37)32-3-4-36-5-7-43-8-6-36/h9-12H,2-8H2,1H3,(H,32,37)(H,38,39)(H,40,41)(H2,31,33,35,42)
• InChIKey: JDIUFIDCQAEYLK-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 195.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.60
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid (CID 67057278) is 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid is CCNC(=O)Nc1ncc(-c2cncc(C(=O)O)c2)c(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c1C(=O)O.

What is the InChIKey of 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid?

The InChIKey is JDIUFIDCQAEYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O7S/c1-2-31-25(42)35-20-17(24(40)41)16(15(12-33-20)13-9-14(23(38)39)11-30-10-13)22-34-19(26(27,28)29)18(44-22)21(37)32-3-4-36-5-7-43-8-6-36/h9-12H,2-8H2,1H3,(H,32,37)(H,38,39)(H,40,41)(H2,31,33,35,42).

What are the key properties of 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid?

5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid has a molecular weight of 637.60 g/mol, XLogP of 2.89, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67057278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).