5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C25H26N4O4 — CID 71284277

IUPAC5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CNC(C)c2ccncc2)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C25H26N4O4/c1-4-19-22(28-24(31)21(23(19)30)25(32)33)16-5-6-20-17(11-16)12-18(29(20)3)13-27-14(2)15-7-9-26-10-8-15/h5-12,14,27H,4,13H2,1-3H3,(H,32,33)(H2,28,30,31)
InChIKeyIUFIRRMYDFAKSX-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.75
Rot. Bonds7

About 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284277) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284277
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CNC(C)c2ccncc2)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C25H26N4O4/c1-4-19-22(28-24(31)21(23(19)30)25(32)33)16-5-6-20-17(11-16)12-18(29(20)3)13-27-14(2)15-7-9-26-10-8-15/h5-12,14,27H,4,13H2,1-3H3,(H,32,33)(H2,28,30,31)
InChIKeyIUFIRRMYDFAKSX-UHFFFAOYSA-N
XLogP3.75
TPSA120.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284277) is 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CNC(C)c2ccncc2)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is IUFIRRMYDFAKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-4-19-22(28-24(31)21(23(19)30)25(32)33)16-5-6-20-17(11-16)12-18(29(20)3)13-27-14(2)15-7-9-26-10-8-15/h5-12,14,27H,4,13H2,1-3H3,(H,32,33)(H2,28,30,31).
What are the key properties of 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 446.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).