N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C19H20N4O4S — CID 87208718

IUPACN-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccccc1-c1nc(CN2CCc3sc(C(=O)NO)c(C)c3C2)no1
InChIInChI=1S/C19H20N4O4S/c1-11-13-9-23(8-7-15(13)28-17(11)18(24)21-25)10-16-20-19(27-22-16)12-5-3-4-6-14(12)26-2/h3-6,25H,7-10H2,1-2H3,(H,21,24)
InChIKeyAJELILARLZHQRC-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.79
Rot. Bonds5

About N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 87208718) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID87208718
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccccc1-c1nc(CN2CCc3sc(C(=O)NO)c(C)c3C2)no1
InChIInChI=1S/C19H20N4O4S/c1-11-13-9-23(8-7-15(13)28-17(11)18(24)21-25)10-16-20-19(27-22-16)12-5-3-4-6-14(12)26-2/h3-6,25H,7-10H2,1-2H3,(H,21,24)
InChIKeyAJELILARLZHQRC-UHFFFAOYSA-N
XLogP2.79
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 16767461
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065529
N-[[5-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126007
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
(3R)-N-[(2-methoxyphenyl)methyl]-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733298
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
2-tert-butyl-6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946981
1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 71794007
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 1249644
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
4-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99988179

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 87208718) is N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is COc1ccccc1-c1nc(CN2CCc3sc(C(=O)NO)c(C)c3C2)no1.
What is the InChIKey of N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is AJELILARLZHQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-11-13-9-23(8-7-15(13)28-17(11)18(24)21-25)10-16-20-19(27-22-16)12-5-3-4-6-14(12)26-2/h3-6,25H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 87208718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).