7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

C23H30N6O — CID 71113438

About 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113438) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

• Compound Name: 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
• PubChem CID: 71113438
• Molecular Formula: C23H30N6O
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.25
• IUPAC Name: 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
• SMILES: CN(C)CCOc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1
• InChI: InChI=1S/C23H30N6O/c1-29(2)12-13-30-19-7-5-18(6-8-19)20-14-21-22(26-11-10-25-21)23(28-20)27-16-17-4-3-9-24-15-17/h5-8,10-11,14,17,24H,3-4,9,12-13,15-16H2,1-2H3,(H,27,28)
• InChIKey: NJDPFVBGLRDVRZ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 75.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?

The IUPAC name of 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (CID 71113438) is 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

What is the SMILES notation for 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?

The canonical SMILES for 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is CN(C)CCOc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1.

What is the InChIKey of 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?

The InChIKey is NJDPFVBGLRDVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-29(2)12-13-30-19-7-5-18(6-8-19)20-14-21-22(26-11-10-25-21)23(28-20)27-16-17-4-3-9-24-15-17/h5-8,10-11,14,17,24H,3-4,9,12-13,15-16H2,1-2H3,(H,27,28).

What are the key properties of 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?

7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 406.53 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).