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

C22H24N4O4S — CID 10151372

IUPACN-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide
SMILESO=C(NO)c1ccc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C22H24N4O4S/c27-22(25-28)18-8-10-21(23-15-18)24-19-6-3-12-26(13-11-19)31(29,30)20-9-7-16-4-1-2-5-17(16)14-20/h1-2,4-5,7-10,14-15,19,28H,3,6,11-13H2,(H,23,24)(H,25,27)
InChIKeyCBVFKSIUMSFCCK-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.01
Rot. Bonds5

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

N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide (PubChem CID 10151372) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide
PubChem CID10151372
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide
SMILESO=C(NO)c1ccc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C22H24N4O4S/c27-22(25-28)18-8-10-21(23-15-18)24-19-6-3-12-26(13-11-19)31(29,30)20-9-7-16-4-1-2-5-17(16)14-20/h1-2,4-5,7-10,14-15,19,28H,3,6,11-13H2,(H,23,24)(H,25,27)
InChIKeyCBVFKSIUMSFCCK-UHFFFAOYSA-N
XLogP3.01
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.01
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-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide (CID 10151372) is N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide is O=C(NO)c1ccc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is CBVFKSIUMSFCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-22(25-28)18-8-10-21(23-15-18)24-19-6-3-12-26(13-11-19)31(29,30)20-9-7-16-4-1-2-5-17(16)14-20/h1-2,4-5,7-10,14-15,19,28H,3,6,11-13H2,(H,23,24)(H,25,27).
What are the key properties of N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide?
N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 3.01, 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-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 10151372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).