5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide

C18H17N3O2S — CID 11617038

IUPAC5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1
InChIInChI=1S/C18H17N3O2S/c22-18(21-23)17-9-8-16(24-17)15-7-6-14(12-20-15)11-19-10-13-4-2-1-3-5-13/h1-9,12,19,23H,10-11H2,(H,21,22)
InChIKeyOPIYGGWYEOSIPY-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.22
Rot. Bonds6

About 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide

5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide (PubChem CID 11617038) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide
PubChem CID11617038
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1
InChIInChI=1S/C18H17N3O2S/c22-18(21-23)17-9-8-16(24-17)15-7-6-14(12-20-15)11-19-10-13-4-2-1-3-5-13/h1-9,12,19,23H,10-11H2,(H,21,22)
InChIKeyOPIYGGWYEOSIPY-UHFFFAOYSA-N
XLogP3.22
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.22
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 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide (CID 11617038) is 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide is O=C(NO)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1.
What is the InChIKey of 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is OPIYGGWYEOSIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(21-23)17-9-8-16(24-17)15-7-6-14(12-20-15)11-19-10-13-4-2-1-3-5-13/h1-9,12,19,23H,10-11H2,(H,21,22).
What are the key properties of 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide?
5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 11617038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).