N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide

C24H29N3O3S — CID 130205062

IUPACN-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOCCN1CCc2ccc(-c3ccc(SN4CC=C(C(=O)NO)CC4)cc3)cc2C1
InChIInChI=1S/C24H29N3O3S/c1-30-15-14-26-11-8-19-2-3-21(16-22(19)17-26)18-4-6-23(7-5-18)31-27-12-9-20(10-13-27)24(28)25-29/h2-7,9,16,29H,8,10-15,17H2,1H3,(H,25,28)
InChIKeyXIWNBYOAISIQIN-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.50
Rot. Bonds7

About N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide

N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 130205062) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID130205062
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOCCN1CCc2ccc(-c3ccc(SN4CC=C(C(=O)NO)CC4)cc3)cc2C1
InChIInChI=1S/C24H29N3O3S/c1-30-15-14-26-11-8-19-2-3-21(16-22(19)17-26)18-4-6-23(7-5-18)31-27-12-9-20(10-13-27)24(28)25-29/h2-7,9,16,29H,8,10-15,17H2,1H3,(H,25,28)
InChIKeyXIWNBYOAISIQIN-UHFFFAOYSA-N
XLogP3.50
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 130205062) is N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide is COCCN1CCc2ccc(-c3ccc(SN4CC=C(C(=O)NO)CC4)cc3)cc2C1.
What is the InChIKey of N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is XIWNBYOAISIQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-30-15-14-26-11-8-19-2-3-21(16-22(19)17-26)18-4-6-23(7-5-18)31-27-12-9-20(10-13-27)24(28)25-29/h2-7,9,16,29H,8,10-15,17H2,1H3,(H,25,28).
What are the key properties of N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 130205062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).