methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate

C24H29NO3 — CID 162211482

About methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate

methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate (PubChem CID 162211482) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
• PubChem CID: 162211482
• Molecular Formula: C24H29NO3
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.21
• IUPAC Name: methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
• SMILES: COC(=O)c1ccncc1CC[C@H]1CCCc2cc(OCCC3CC3)ccc21
• InChI: InChI=1S/C24H29NO3/c1-27-24(26)23-11-13-25-16-20(23)8-7-18-3-2-4-19-15-21(9-10-22(18)19)28-14-12-17-5-6-17/h9-11,13,15-18H,2-8,12,14H2,1H3/t18-/m1/s1
• InChIKey: ARHWNWYGMWUXGC-GOSISDBHSA-N
• XLogP: 5.10
• TPSA: 48.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate?

The IUPAC name of methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate (CID 162211482) is methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate.

What is the SMILES notation for methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate?

The canonical SMILES for methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate is COC(=O)c1ccncc1CC[C@H]1CCCc2cc(OCCC3CC3)ccc21.

What is the InChIKey of methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate?

The InChIKey is ARHWNWYGMWUXGC-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29NO3/c1-27-24(26)23-11-13-25-16-20(23)8-7-18-3-2-4-19-15-21(9-10-22(18)19)28-14-12-17-5-6-17/h9-11,13,15-18H,2-8,12,14H2,1H3/t18-/m1/s1.

What are the key properties of methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate?

methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate is sourced from PubChem (CID 162211482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).