2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide

C19H17N3O3S2 — CID 58157604

IUPAC2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
SMILESO=C(NO)c1cc2c(s1)CN(C(=O)Nc1ccc(-c3ccccc3)s1)CC2
InChIInChI=1S/C19H17N3O3S2/c23-18(21-25)15-10-13-8-9-22(11-16(13)26-15)19(24)20-17-7-6-14(27-17)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,24)(H,21,23)
InChIKeyNJMBJZZOOGHSLQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.19
Rot. Bonds3

About 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide

2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide (PubChem CID 58157604) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
PubChem CID58157604
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
SMILESO=C(NO)c1cc2c(s1)CN(C(=O)Nc1ccc(-c3ccccc3)s1)CC2
InChIInChI=1S/C19H17N3O3S2/c23-18(21-25)15-10-13-8-9-22(11-16(13)26-15)19(24)20-17-7-6-14(27-17)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,24)(H,21,23)
InChIKeyNJMBJZZOOGHSLQ-UHFFFAOYSA-N
XLogP4.19
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide (CID 58157604) is 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide is O=C(NO)c1cc2c(s1)CN(C(=O)Nc1ccc(-c3ccccc3)s1)CC2.
What is the InChIKey of 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The InChIKey is NJMBJZZOOGHSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c23-18(21-25)15-10-13-8-9-22(11-16(13)26-15)19(24)20-17-7-6-14(27-17)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,24)(H,21,23).
What are the key properties of 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 58157604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).