ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate

C24H30N6O3 — CID 134500350

About ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate

ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate (PubChem CID 134500350) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate
• PubChem CID: 134500350
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate
• SMILES: CCOC(=O)CC(c1ccc(OC)nc1)n1ncc(CCCc2ccc3c(n2)NCCC3)n1
• InChI: InChI=1S/C24H30N6O3/c1-3-33-23(31)14-21(18-10-12-22(32-2)26-15-18)30-27-16-20(29-30)8-4-7-19-11-9-17-6-5-13-25-24(17)28-19/h9-12,15-16,21H,3-8,13-14H2,1-2H3,(H,25,28)
• InChIKey: AIAUTQUTQYFEBD-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 104.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate?

The IUPAC name of ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate (CID 134500350) is ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate.

What is the SMILES notation for ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate?

The canonical SMILES for ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate is CCOC(=O)CC(c1ccc(OC)nc1)n1ncc(CCCc2ccc3c(n2)NCCC3)n1.

What is the InChIKey of ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate?

The InChIKey is AIAUTQUTQYFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-3-33-23(31)14-21(18-10-12-22(32-2)26-15-18)30-27-16-20(29-30)8-4-7-19-11-9-17-6-5-13-25-24(17)28-19/h9-12,15-16,21H,3-8,13-14H2,1-2H3,(H,25,28).

What are the key properties of ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate?

ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate has a molecular weight of 450.54 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate is sourced from PubChem (CID 134500350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).