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

C25H27ClN4O4 — CID 71284276

IUPAC5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3c(c2)cc(CNC(C)c2ccncc2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C25H26N4O4.ClH/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);1H
InChIKeyBFHKKAUTJNEXQV-UHFFFAOYSA-N
MW482.97 g/mol
LogP4.17
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;hydrochloride

5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 71284276) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 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;hydrochloride.

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;hydrochloride
PubChem CID71284276
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC Name5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3c(c2)cc(CNC(C)c2ccncc2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C25H26N4O4.ClH/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);1H
InChIKeyBFHKKAUTJNEXQV-UHFFFAOYSA-N
XLogP4.17
TPSA120.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.17
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;hydrochloride?
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;hydrochloride (CID 71284276) is 5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
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;hydrochloride?
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;hydrochloride is CCc1c(-c2ccc3c(c2)cc(CNC(C)c2ccncc2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl.
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;hydrochloride?
The InChIKey is BFHKKAUTJNEXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4.ClH/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);1H.
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;hydrochloride?
5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-4-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 482.97 g/mol, XLogP of 4.17, 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;hydrochloride is sourced from PubChem (CID 71284276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).