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

C21H23N3O4 — CID 71285334

IUPAC5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)Cc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3C3CC3)ccc2n1C
InChIInChI=1S/C21H23N3O4/c1-23(2)10-14-9-13-8-12(6-7-15(13)24(14)3)18-16(11-4-5-11)19(25)17(21(27)28)20(26)22-18/h6-9,11H,4-5,10H2,1-3H3,(H,27,28)(H2,22,25,26)
InChIKeyDXYYDYSKZKOKMB-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.88
Rot. Bonds5

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

5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285334) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71285334
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)Cc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3C3CC3)ccc2n1C
InChIInChI=1S/C21H23N3O4/c1-23(2)10-14-9-13-8-12(6-7-15(13)24(14)3)18-16(11-4-5-11)19(25)17(21(27)28)20(26)22-18/h6-9,11H,4-5,10H2,1-3H3,(H,27,28)(H2,22,25,26)
InChIKeyDXYYDYSKZKOKMB-UHFFFAOYSA-N
XLogP2.88
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285334) is 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CN(C)Cc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3C3CC3)ccc2n1C.
What is the InChIKey of 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is DXYYDYSKZKOKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-23(2)10-14-9-13-8-12(6-7-15(13)24(14)3)18-16(11-4-5-11)19(25)17(21(27)28)20(26)22-18/h6-9,11H,4-5,10H2,1-3H3,(H,27,28)(H2,22,25,26).
What are the key properties of 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).