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

C18H19N3O4 — CID 71284801

IUPAC6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)Cc1cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc2n1C
InChIInChI=1S/C18H19N3O4/c1-20(2)9-12-7-11-6-10(4-5-14(11)21(12)3)13-8-15(22)16(18(24)25)17(23)19-13/h4-8H,9H2,1-3H3,(H,24,25)(H2,19,22,23)
InChIKeyWLZDNAUKVWZXTE-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.00
Rot. Bonds4

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

6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284801) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284801
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)Cc1cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc2n1C
InChIInChI=1S/C18H19N3O4/c1-20(2)9-12-7-11-6-10(4-5-14(11)21(12)3)13-8-15(22)16(18(24)25)17(23)19-13/h4-8H,9H2,1-3H3,(H,24,25)(H2,19,22,23)
InChIKeyWLZDNAUKVWZXTE-UHFFFAOYSA-N
XLogP2.00
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.00
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-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284801) is 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CN(C)Cc1cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc2n1C.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is WLZDNAUKVWZXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-20(2)9-12-7-11-6-10(4-5-14(11)21(12)3)13-8-15(22)16(18(24)25)17(23)19-13/h4-8H,9H2,1-3H3,(H,24,25)(H2,19,22,23).
What are the key properties of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.00, 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-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).