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

C24H25N3O3 — CID 155315093

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

3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid (PubChem CID 155315093) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
• PubChem CID: 155315093
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: 3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
• SMILES: COc1cccc(Nc2ccc3c(c2)CCC[C@H]3CNc2cnccc2C(=O)O)c1
• InChI: InChI=1S/C24H25N3O3/c1-30-20-7-3-6-18(13-20)27-19-8-9-21-16(12-19)4-2-5-17(21)14-26-23-15-25-11-10-22(23)24(28)29/h3,6-13,15,17,26-27H,2,4-5,14H2,1H3,(H,28,29)/t17-/m0/s1
• InChIKey: DASBJUPZKWGCLC-KRWDZBQOSA-N
• XLogP: 5.06
• TPSA: 83.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid (CID 155315093) is 3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid.

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

The canonical SMILES for 3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid is COc1cccc(Nc2ccc3c(c2)CCC[C@H]3CNc2cnccc2C(=O)O)c1.

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

The InChIKey is DASBJUPZKWGCLC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-20-7-3-6-18(13-20)27-19-8-9-21-16(12-19)4-2-5-17(21)14-26-23-15-25-11-10-22(23)24(28)29/h3,6-13,15,17,26-27H,2,4-5,14H2,1H3,(H,28,29)/t17-/m0/s1.

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

3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid has a molecular weight of 403.48 g/mol, XLogP of 5.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 155315093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).