N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

C21H26N4O4S — CID 167003334

IUPACN-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCNCCNc1ccc(-c2ccc(S(=O)(=O)N3CC=C(C(=O)NO)CC3)cc2)cc1
InChIInChI=1S/C21H26N4O4S/c1-22-12-13-23-19-6-2-16(3-7-19)17-4-8-20(9-5-17)30(28,29)25-14-10-18(11-15-25)21(26)24-27/h2-10,22-23,27H,11-15H2,1H3,(H,24,26)
InChIKeyZPKSKSTYBMWBKX-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.81
Rot. Bonds8

About N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 167003334) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID167003334
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCNCCNc1ccc(-c2ccc(S(=O)(=O)N3CC=C(C(=O)NO)CC3)cc2)cc1
InChIInChI=1S/C21H26N4O4S/c1-22-12-13-23-19-6-2-16(3-7-19)17-4-8-20(9-5-17)30(28,29)25-14-10-18(11-15-25)21(26)24-27/h2-10,22-23,27H,11-15H2,1H3,(H,24,26)
InChIKeyZPKSKSTYBMWBKX-UHFFFAOYSA-N
XLogP1.81
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 167003334) is N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is CNCCNc1ccc(-c2ccc(S(=O)(=O)N3CC=C(C(=O)NO)CC3)cc2)cc1.
What is the InChIKey of N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is ZPKSKSTYBMWBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-22-12-13-23-19-6-2-16(3-7-19)17-4-8-20(9-5-17)30(28,29)25-14-10-18(11-15-25)21(26)24-27/h2-10,22-23,27H,11-15H2,1H3,(H,24,26).
What are the key properties of N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 1.81, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 167003334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).