6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C17H22N4O3S — CID 58157803

IUPAC6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(C(=O)N2CCc3cc(C(=O)NO)sc3C2)n(C(C)(C)C)n1
InChIInChI=1S/C17H22N4O3S/c1-10-7-12(21(18-10)17(2,3)4)16(23)20-6-5-11-8-13(15(22)19-24)25-14(11)9-20/h7-8,24H,5-6,9H2,1-4H3,(H,19,22)
InChIKeySFEWQGVIIBWQGJ-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.33
Rot. Bonds2

About 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58157803) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58157803
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(C(=O)N2CCc3cc(C(=O)NO)sc3C2)n(C(C)(C)C)n1
InChIInChI=1S/C17H22N4O3S/c1-10-7-12(21(18-10)17(2,3)4)16(23)20-6-5-11-8-13(15(22)19-24)25-14(11)9-20/h7-8,24H,5-6,9H2,1-4H3,(H,19,22)
InChIKeySFEWQGVIIBWQGJ-UHFFFAOYSA-N
XLogP2.33
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.33
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'}

Analyze 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-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

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 58157803) is 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is Cc1cc(C(=O)N2CCc3cc(C(=O)NO)sc3C2)n(C(C)(C)C)n1.
What is the InChIKey of 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SFEWQGVIIBWQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-10-7-12(21(18-10)17(2,3)4)16(23)20-6-5-11-8-13(15(22)19-24)25-14(11)9-20/h7-8,24H,5-6,9H2,1-4H3,(H,19,22).
What are the key properties of 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).