5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide

C23H27N5O3 — CID 177254531

About 5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide

5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 177254531) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide
• PubChem CID: 177254531
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: 5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CCN3CC[C@@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
• InChI: InChI=1S/C23H27N5O3/c1-3-16-11-20-21(27-22(16)29)10-15(12-25-20)6-8-28-9-7-18(14-28)31-17-4-5-19(26-13-17)23(30)24-2/h4-5,10-13,18H,3,6-9,14H2,1-2H3,(H,24,30)(H,27,29)/t18-/m1/s1
• InChIKey: ADJWCQIAXVIGEU-GOSISDBHSA-N
• XLogP: 1.94
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide (CID 177254531) is 5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide.

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

The canonical SMILES for 5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CCN3CC[C@@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O.

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

The InChIKey is ADJWCQIAXVIGEU-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-16-11-20-21(27-22(16)29)10-15(12-25-20)6-8-28-9-7-18(14-28)31-17-4-5-19(26-13-17)23(30)24-2/h4-5,10-13,18H,3,6-9,14H2,1-2H3,(H,24,30)(H,27,29)/t18-/m1/s1.

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

5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 177254531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).