7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide

C21H26N6O3 — CID 164708389

About 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide

7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 164708389) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
• PubChem CID: 164708389
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
• SMILES: COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NC4CN(C)C4)nc23)CC1
• InChI: InChI=1S/C21H26N6O3/c1-21(30-3)6-8-27(9-7-21)18-14(10-22)19(28)25-15-4-5-16(24-17(15)18)20(29)23-13-11-26(2)12-13/h4-5,13H,6-9,11-12H2,1-3H3,(H,23,29)(H,25,28)
• InChIKey: DYARNCZQPOSSTI-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 114.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?

The IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 164708389) is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

What is the SMILES notation for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?

The canonical SMILES for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NC4CN(C)C4)nc23)CC1.

What is the InChIKey of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?

The InChIKey is DYARNCZQPOSSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-21(30-3)6-8-27(9-7-21)18-14(10-22)19(28)25-15-4-5-16(24-17(15)18)20(29)23-13-11-26(2)12-13/h4-5,13H,6-9,11-12H2,1-3H3,(H,23,29)(H,25,28).

What are the key properties of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?

7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 164708389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).