N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide

C21H22N4O4S — CID 10194720

IUPACN-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESO=C(NO)c1ccc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C21H22N4O4S/c26-21(24-27)17-6-8-20(22-14-17)23-18-9-11-25(12-10-18)30(28,29)19-7-5-15-3-1-2-4-16(15)13-19/h1-8,13-14,18,27H,9-12H2,(H,22,23)(H,24,26)
InChIKeyOPIOURMBJPXPSG-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.62
Rot. Bonds5

About N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide

N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 10194720) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID10194720
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESO=C(NO)c1ccc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C21H22N4O4S/c26-21(24-27)17-6-8-20(22-14-17)23-18-9-11-25(12-10-18)30(28,29)19-7-5-15-3-1-2-4-16(15)13-19/h1-8,13-14,18,27H,9-12H2,(H,22,23)(H,24,26)
InChIKeyOPIOURMBJPXPSG-UHFFFAOYSA-N
XLogP2.62
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.62
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-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide (CID 10194720) is N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide is O=C(NO)c1ccc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is OPIOURMBJPXPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-21(24-27)17-6-8-20(22-14-17)23-18-9-11-25(12-10-18)30(28,29)19-7-5-15-3-1-2-4-16(15)13-19/h1-8,13-14,18,27H,9-12H2,(H,22,23)(H,24,26).
What are the key properties of N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide?
N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 10194720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).