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

C19H21N3O4 — CID 71281670

IUPAC6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H21N3O4/c1-10-16(20-18(24)15(17(10)23)19(25)26)11-5-6-14-12(7-11)8-13(22(14)4)9-21(2)3/h5-8H,9H2,1-4H3,(H,25,26)(H2,20,23,24)
InChIKeyLDOGXIAANRXUJF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.31
Rot. Bonds4

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

6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281670) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281670
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H21N3O4/c1-10-16(20-18(24)15(17(10)23)19(25)26)11-5-6-14-12(7-11)8-13(22(14)4)9-21(2)3/h5-8H,9H2,1-4H3,(H,25,26)(H2,20,23,24)
InChIKeyLDOGXIAANRXUJF-UHFFFAOYSA-N
XLogP2.31
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.31
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-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281670) is 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1c(-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-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is LDOGXIAANRXUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-10-16(20-18(24)15(17(10)23)19(25)26)11-5-6-14-12(7-11)8-13(22(14)4)9-21(2)3/h5-8H,9H2,1-4H3,(H,25,26)(H2,20,23,24).
What are the key properties of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.31, 4 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-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).