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

C21H25N3O4 — CID 71284607

IUPAC6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
SMILESCC(C)c1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C21H25N3O4/c1-11(2)16-18(22-20(26)17(19(16)25)21(27)28)12-6-7-15-13(8-12)9-14(24(15)5)10-23(3)4/h6-9,11H,10H2,1-5H3,(H,27,28)(H2,22,25,26)
InChIKeyJLMCDZYAWSTZMJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.12
Rot. Bonds5

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

6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid (PubChem CID 71284607) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
PubChem CID71284607
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
SMILESCC(C)c1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C21H25N3O4/c1-11(2)16-18(22-20(26)17(19(16)25)21(27)28)12-6-7-15-13(8-12)9-14(24(15)5)10-23(3)4/h6-9,11H,10H2,1-5H3,(H,27,28)(H2,22,25,26)
InChIKeyJLMCDZYAWSTZMJ-UHFFFAOYSA-N
XLogP3.12
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid (CID 71284607) is 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid is CC(C)c1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The InChIKey is JLMCDZYAWSTZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-11(2)16-18(22-20(26)17(19(16)25)21(27)28)12-6-7-15-13(8-12)9-14(24(15)5)10-23(3)4/h6-9,11H,10H2,1-5H3,(H,27,28)(H2,22,25,26).
What are the key properties of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).