N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide

C22H24N4O4S — CID 10238318

IUPACN-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NO)c1ccc(N2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C22H24N4O4S/c27-22(25-28)19-6-8-21(23-15-19)26-11-9-16(10-12-26)14-24-31(29,30)20-7-5-17-3-1-2-4-18(17)13-20/h1-8,13,15-16,24,28H,9-12,14H2,(H,25,27)
InChIKeyBLESRXWPZZUMLN-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.55
Rot. Bonds6

About N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide

N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 10238318) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID10238318
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NO)c1ccc(N2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C22H24N4O4S/c27-22(25-28)19-6-8-21(23-15-19)26-11-9-16(10-12-26)14-24-31(29,30)20-7-5-17-3-1-2-4-18(17)13-20/h1-8,13,15-16,24,28H,9-12,14H2,(H,25,27)
InChIKeyBLESRXWPZZUMLN-UHFFFAOYSA-N
XLogP2.55
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.55
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-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 10238318) is N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide is O=C(NO)c1ccc(N2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is BLESRXWPZZUMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-22(25-28)19-6-8-21(23-15-19)26-11-9-16(10-12-26)14-24-31(29,30)20-7-5-17-3-1-2-4-18(17)13-20/h1-8,13,15-16,24,28H,9-12,14H2,(H,25,27).
What are the key properties of N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10238318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).