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

C22H26N6O2 — CID 170311157

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

6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 170311157) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide
• PubChem CID: 170311157
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide
• SMILES: CCc1cc2ncc(CN3CCC(Nc4ccc(C(=O)NC)cn4)C3)cc2[nH]c1=O
• InChI: InChI=1S/C22H26N6O2/c1-3-15-9-18-19(27-22(15)30)8-14(10-24-18)12-28-7-6-17(13-28)26-20-5-4-16(11-25-20)21(29)23-2/h4-5,8-11,17H,3,6-7,12-13H2,1-2H3,(H,23,29)(H,25,26)(H,27,30)
• InChIKey: PDFWFWIWZYFCLK-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide (CID 170311157) is 6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide.

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

The canonical SMILES for 6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide is CCc1cc2ncc(CN3CCC(Nc4ccc(C(=O)NC)cn4)C3)cc2[nH]c1=O.

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

The InChIKey is PDFWFWIWZYFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-3-15-9-18-19(27-22(15)30)8-14(10-24-18)12-28-7-6-17(13-28)26-20-5-4-16(11-25-20)21(29)23-2/h4-5,8-11,17H,3,6-7,12-13H2,1-2H3,(H,23,29)(H,25,26)(H,27,30).

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

6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 170311157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).