4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C21H25N3O5 — CID 71281754

About 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281754) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 71281754
• Molecular Formula: C21H25N3O5
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.18
• IUPAC Name: 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: COCC(C)NCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3C)ccc2n1C
• InChI: InChI=1S/C21H25N3O5/c1-11(10-29-4)22-9-15-8-14-7-13(5-6-16(14)24(15)3)18-12(2)19(25)17(21(27)28)20(26)23-18/h5-8,11,22H,9-10H2,1-4H3,(H,27,28)(H2,23,25,26)
• InChIKey: JTXPUBUZMHWGDQ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 116.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281754) is 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is COCC(C)NCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3C)ccc2n1C.

What is the InChIKey of 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is JTXPUBUZMHWGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-11(10-29-4)22-9-15-8-14-7-13(5-6-16(14)24(15)3)18-12(2)19(25)17(21(27)28)20(26)23-18/h5-8,11,22H,9-10H2,1-4H3,(H,27,28)(H2,23,25,26).

What are the key properties of 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?

4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).