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

C17H18N2O3S — CID 58157652

IUPACN-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cccc(CC(=O)N2CCc3cc(C(=O)NO)sc3C2)c1
InChIInChI=1S/C17H18N2O3S/c1-11-3-2-4-12(7-11)8-16(20)19-6-5-13-9-14(17(21)18-22)23-15(13)10-19/h2-4,7,9,22H,5-6,8,10H2,1H3,(H,18,21)
InChIKeyJNNHXKQJHLCWPT-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.30
Rot. Bonds3

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

N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58157652) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58157652
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cccc(CC(=O)N2CCc3cc(C(=O)NO)sc3C2)c1
InChIInChI=1S/C17H18N2O3S/c1-11-3-2-4-12(7-11)8-16(20)19-6-5-13-9-14(17(21)18-22)23-15(13)10-19/h2-4,7,9,22H,5-6,8,10H2,1H3,(H,18,21)
InChIKeyJNNHXKQJHLCWPT-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 58157652) is N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is Cc1cccc(CC(=O)N2CCc3cc(C(=O)NO)sc3C2)c1.
What is the InChIKey of N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is JNNHXKQJHLCWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-3-2-4-12(7-11)8-16(20)19-6-5-13-9-14(17(21)18-22)23-15(13)10-19/h2-4,7,9,22H,5-6,8,10H2,1H3,(H,18,21).
What are the key properties of N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).