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

C24H30ClN3O4 — CID 71284126

IUPAC6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3c(c2)cc(CNC2CCCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C24H29N3O4.ClH/c1-3-18-21(26-23(29)20(22(18)28)24(30)31)14-9-10-19-15(11-14)12-17(27(19)2)13-25-16-7-5-4-6-8-16;/h9-12,16,25H,3-8,13H2,1-2H3,(H,30,31)(H2,26,28,29);1H
InChIKeyKMCCINGOAAQXKA-UHFFFAOYSA-N
MW459.97 g/mol
LogP4.34
Rot. Bonds6

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

6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 71284126) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID71284126
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC Name6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3c(c2)cc(CNC2CCCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C24H29N3O4.ClH/c1-3-18-21(26-23(29)20(22(18)28)24(30)31)14-9-10-19-15(11-14)12-17(27(19)2)13-25-16-7-5-4-6-8-16;/h9-12,16,25H,3-8,13H2,1-2H3,(H,30,31)(H2,26,28,29);1H
InChIKeyKMCCINGOAAQXKA-UHFFFAOYSA-N
XLogP4.34
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 71284126) is 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is CCc1c(-c2ccc3c(c2)cc(CNC2CCCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl.
What is the InChIKey of 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is KMCCINGOAAQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4.ClH/c1-3-18-21(26-23(29)20(22(18)28)24(30)31)14-9-10-19-15(11-14)12-17(27(19)2)13-25-16-7-5-4-6-8-16;/h9-12,16,25H,3-8,13H2,1-2H3,(H,30,31)(H2,26,28,29);1H.
What are the key properties of 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 459.97 g/mol, XLogP of 4.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71284126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).