VRX 03011 Potassium salt

C19H27KN3O3S — CID 66863218

IUPAC—
SMILESCC(C)n1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccsc21.[K]
InChIInChI=1S/C19H27N3O3S.K/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24);
InChIKeyUOXGVDKWPKQJGZ-UHFFFAOYSA-N
MW416.61 g/mol
LogP2.57
Rot. Bonds6

About VRX 03011 Potassium salt

VRX 03011 Potassium salt (PubChem CID 66863218) has the molecular formula C19H27KN3O3S and a molecular weight of 416.61 g/mol.

Molecular Properties

Compound NameVRX 03011 Potassium salt
PubChem CID66863218
Molecular FormulaC19H27KN3O3S
Molecular Weight416.61 g/mol
Exact Mass416.14
IUPAC Name—
SMILESCC(C)n1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccsc21.[K]
InChIInChI=1S/C19H27N3O3S.K/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24);
InChIKeyUOXGVDKWPKQJGZ-UHFFFAOYSA-N
XLogP2.57
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

but-2-enedioic acid;4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide
CID 67316487
(Z)-but-2-enedioic acid;4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;methane
CID 160756968
4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;methane
CID 160641421
4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 54749196
potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate
CID 42615921
4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-[1-[6-oxo-7-propan-2-yl-5-[3-[4-(trifluoromethyl)piperidin-1-yl]propylcarbamoyl]thieno[2,3-b]pyridin-4-yl]oxypropan-2-yl]thieno[2,3-b]pyridine-5-carboxamide
CID 143153524
sodium 5-[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)propylcarbamoyl]-6-oxo-7-(1,1,1-trideuteriopropan-2-yl)thieno[2,3-b]pyridin-4-olate
CID 58119829
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 54683762
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide
CID 24798265
4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide
CID 54730188
9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 54676009

Frequently Asked Questions

What is the IUPAC name of VRX 03011 Potassium salt?
The IUPAC name of VRX 03011 Potassium salt (CID 66863218) is not available.
What is the SMILES notation for VRX 03011 Potassium salt?
The canonical SMILES for VRX 03011 Potassium salt is CC(C)n1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccsc21.[K].
What is the InChIKey of VRX 03011 Potassium salt?
The InChIKey is UOXGVDKWPKQJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S.K/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24);.
What are the key properties of VRX 03011 Potassium salt?
VRX 03011 Potassium salt has a molecular weight of 416.61 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for VRX 03011 Potassium salt is sourced from PubChem (CID 66863218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).