N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide

C19H19N3O3S — CID 11696355

IUPACN-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccc(CNCCOc3ccccc3)cn2)s1
InChIInChI=1S/C19H19N3O3S/c23-19(22-24)18-9-8-17(26-18)16-7-6-14(13-21-16)12-20-10-11-25-15-4-2-1-3-5-15/h1-9,13,20,24H,10-12H2,(H,22,23)
InChIKeyKARJWFQZRRZWOM-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.10
Rot. Bonds8

About N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide

N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 11696355) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide
PubChem CID11696355
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccc(CNCCOc3ccccc3)cn2)s1
InChIInChI=1S/C19H19N3O3S/c23-19(22-24)18-9-8-17(26-18)16-7-6-14(13-21-16)12-20-10-11-25-15-4-2-1-3-5-15/h1-9,13,20,24H,10-12H2,(H,22,23)
InChIKeyKARJWFQZRRZWOM-UHFFFAOYSA-N
XLogP3.10
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide (CID 11696355) is N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide is O=C(NO)c1ccc(-c2ccc(CNCCOc3ccccc3)cn2)s1.
What is the InChIKey of N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is KARJWFQZRRZWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-19(22-24)18-9-8-17(26-18)16-7-6-14(13-21-16)12-20-10-11-25-15-4-2-1-3-5-15/h1-9,13,20,24H,10-12H2,(H,22,23).
What are the key properties of N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide?
N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[5-[(2-phenoxyethylamino)methyl]-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 11696355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).