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

C17H18ClN3O4 — CID 118951311

IUPAC6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3cc(CN)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C17H17N3O4.ClH/c1-2-11-14(20-16(22)13(15(11)21)17(23)24)9-4-3-8-5-10(7-18)19-12(8)6-9;/h3-6,19H,2,7,18H2,1H3,(H,23,24)(H2,20,21,22);1H
InChIKeyXZRFCFZIGIWGFJ-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.37
Rot. Bonds4

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

6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 118951311) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID118951311
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3cc(CN)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C17H17N3O4.ClH/c1-2-11-14(20-16(22)13(15(11)21)17(23)24)9-4-3-8-5-10(7-18)19-12(8)6-9;/h3-6,19H,2,7,18H2,1H3,(H,23,24)(H2,20,21,22);1H
InChIKeyXZRFCFZIGIWGFJ-UHFFFAOYSA-N
XLogP2.37
TPSA132.20 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 118951311) is 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is CCc1c(-c2ccc3cc(CN)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cl.
What is the InChIKey of 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is XZRFCFZIGIWGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4.ClH/c1-2-11-14(20-16(22)13(15(11)21)17(23)24)9-4-3-8-5-10(7-18)19-12(8)6-9;/h3-6,19H,2,7,18H2,1H3,(H,23,24)(H2,20,21,22);1H.
What are the key properties of 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 363.80 g/mol, XLogP of 2.37, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 118951311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).