3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid

C24H24N2O3 — CID 77104943

About 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid

3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 77104943) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
• PubChem CID: 77104943
• Molecular Formula: C24H24N2O3
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.18
• IUPAC Name: 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
• SMILES: O=C(O)c1ccncc1NCC1CCCc2cc(OCc3ccccc3)ccc21
• InChI: InChI=1S/C24H24N2O3/c27-24(28)22-11-12-25-15-23(22)26-14-19-8-4-7-18-13-20(9-10-21(18)19)29-16-17-5-2-1-3-6-17/h1-3,5-6,9-13,15,19,26H,4,7-8,14,16H2,(H,27,28)
• InChIKey: UMGJRNQDJYKVRI-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?

The IUPAC name of 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid (CID 77104943) is 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCC1CCCc2cc(OCc3ccccc3)ccc21.

What is the InChIKey of 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?

The InChIKey is UMGJRNQDJYKVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24(28)22-11-12-25-15-23(22)26-14-19-8-4-7-18-13-20(9-10-21(18)19)29-16-17-5-2-1-3-6-17/h1-3,5-6,9-13,15,19,26H,4,7-8,14,16H2,(H,27,28).

What are the key properties of 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?

3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 77104943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).