N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

C20H20N4O4S — CID 59421060

IUPACN-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1
InChIInChI=1S/C20H20N4O4S/c25-20(22-26)16-6-8-19(21-12-16)24-10-9-17(13-24)23-29(27,28)18-7-5-14-3-1-2-4-15(14)11-18/h1-8,11-12,17,23,26H,9-10,13H2,(H,22,25)
InChIKeyKPVVSIQZVMXXCD-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.91
Rot. Bonds5

About N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 59421060) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID59421060
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1
InChIInChI=1S/C20H20N4O4S/c25-20(22-26)16-6-8-19(21-12-16)24-10-9-17(13-24)23-29(27,28)18-7-5-14-3-1-2-4-15(14)11-18/h1-8,11-12,17,23,26H,9-10,13H2,(H,22,25)
InChIKeyKPVVSIQZVMXXCD-UHFFFAOYSA-N
XLogP1.91
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 59421060) is N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide is O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.
What is the InChIKey of N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is KPVVSIQZVMXXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-20(22-26)16-6-8-19(21-12-16)24-10-9-17(13-24)23-29(27,28)18-7-5-14-3-1-2-4-15(14)11-18/h1-8,11-12,17,23,26H,9-10,13H2,(H,22,25).
What are the key properties of N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59421060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).