N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C14H13N3O4S — CID 58157748

IUPACN-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CN(C(=O)c1cccc(=O)[nH]1)CC2
InChIInChI=1S/C14H13N3O4S/c18-12-3-1-2-9(15-12)14(20)17-5-4-8-6-10(13(19)16-21)22-11(8)7-17/h1-3,6,21H,4-5,7H2,(H,15,18)(H,16,19)
InChIKeySMFVCJWXSMZFQB-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.75
Rot. Bonds2

About N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58157748) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58157748
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CN(C(=O)c1cccc(=O)[nH]1)CC2
InChIInChI=1S/C14H13N3O4S/c18-12-3-1-2-9(15-12)14(20)17-5-4-8-6-10(13(19)16-21)22-11(8)7-17/h1-3,6,21H,4-5,7H2,(H,15,18)(H,16,19)
InChIKeySMFVCJWXSMZFQB-UHFFFAOYSA-N
XLogP0.75
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.75
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 N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 58157748) is N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is O=C(NO)c1cc2c(s1)CN(C(=O)c1cccc(=O)[nH]1)CC2.
What is the InChIKey of N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SMFVCJWXSMZFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c18-12-3-1-2-9(15-12)14(20)17-5-4-8-6-10(13(19)16-21)22-11(8)7-17/h1-3,6,21H,4-5,7H2,(H,15,18)(H,16,19).
What are the key properties of N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).