N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

C20H15N3O5S — CID 86290326

IUPACN-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NO)sc23)c1
InChIInChI=1S/C20H15N3O5S/c1-11-6-8-27-17(11)20(25)22-12-3-2-4-13(9-12)28-15-5-7-21-14-10-16(19(24)23-26)29-18(14)15/h2-10,26H,1H3,(H,22,25)(H,23,24)
InChIKeyCDVQNKWPHQFENU-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.36
Rot. Bonds5

About N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 86290326) has the molecular formula C20H15N3O5S and a molecular weight of 409.42 g/mol. Its IUPAC name is N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID86290326
Molecular FormulaC20H15N3O5S
Molecular Weight409.42 g/mol
Exact Mass409.07
IUPAC NameN-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NO)sc23)c1
InChIInChI=1S/C20H15N3O5S/c1-11-6-8-27-17(11)20(25)22-12-3-2-4-13(9-12)28-15-5-7-21-14-10-16(19(24)23-26)29-18(14)15/h2-10,26H,1H3,(H,22,25)(H,23,24)
InChIKeyCDVQNKWPHQFENU-UHFFFAOYSA-N
XLogP4.36
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 86290326) is N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NO)sc23)c1.
What is the InChIKey of N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is CDVQNKWPHQFENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5S/c1-11-6-8-27-17(11)20(25)22-12-3-2-4-13(9-12)28-15-5-7-21-14-10-16(19(24)23-26)29-18(14)15/h2-10,26H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 409.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 86290326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).