5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide

C24H24F3N5O2 — CID 178063369

About 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide

5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 178063369) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide
• PubChem CID: 178063369
• Molecular Formula: C24H24F3N5O2
• Molecular Weight: 471.48 g/mol
• Exact Mass: 471.19
• IUPAC Name: 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3C/C(=C/c4ccc(C(=O)NC)nc4)CC3C(F)(F)F)cc2[nH]c1=O
• InChI: InChI=1S/C24H24F3N5O2/c1-3-17-9-19-20(31-22(17)33)7-16(11-30-19)13-32-12-15(8-21(32)24(25,26)27)6-14-4-5-18(29-10-14)23(34)28-2/h4-7,9-11,21H,3,8,12-13H2,1-2H3,(H,28,34)(H,31,33)/b15-6+
• InChIKey: NKRXPEOXLXDSMG-GIDUJCDVSA-N
• XLogP: 3.46
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.48
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide (CID 178063369) is 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3C/C(=C/c4ccc(C(=O)NC)nc4)CC3C(F)(F)F)cc2[nH]c1=O.

What is the InChIKey of 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide?

The InChIKey is NKRXPEOXLXDSMG-GIDUJCDVSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-3-17-9-19-20(31-22(17)33)7-16(11-30-19)13-32-12-15(8-21(32)24(25,26)27)6-14-4-5-18(29-10-14)23(34)28-2/h4-7,9-11,21H,3,8,12-13H2,1-2H3,(H,28,34)(H,31,33)/b15-6+.

What are the key properties of 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide?

5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 178063369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).