1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine

C23H28ClN5O2 — CID 87792129

About 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine

1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine (PubChem CID 87792129) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
• PubChem CID: 87792129
• Molecular Formula: C23H28ClN5O2
• Molecular Weight: 441.96 g/mol
• Exact Mass: 441.19
• IUPAC Name: 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
• SMILES: Clc1ccc2c(n1)N(CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)CC=C2
• InChI: InChI=1S/C23H28ClN5O2/c24-22-4-3-17-2-1-7-29(23(17)27-22)11-10-28-8-5-18(6-9-28)25-15-19-14-20-21(16-26-19)31-13-12-30-20/h1-4,14,16,18,25H,5-13,15H2
• InChIKey: ZNCHCYFYIQZYSN-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 62.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.96
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?

The IUPAC name of 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine (CID 87792129) is 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine.

What is the SMILES notation for 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?

The canonical SMILES for 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine is Clc1ccc2c(n1)N(CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)CC=C2.

What is the InChIKey of 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?

The InChIKey is ZNCHCYFYIQZYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c24-22-4-3-17-2-1-7-29(23(17)27-22)11-10-28-8-5-18(6-9-28)25-15-19-14-20-21(16-26-19)31-13-12-30-20/h1-4,14,16,18,25H,5-13,15H2.

What are the key properties of 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?

1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine has a molecular weight of 441.96 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(7-chloro-2H-1,8-naphthyridin-1-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 87792129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).