N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide

C21H24N6O4S — CID 10127592

IUPACN-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C21H24N6O4S/c28-20(25-29)18-14-22-21(23-15-18)27-11-9-26(10-12-27)8-7-24-32(30,31)19-6-5-16-3-1-2-4-17(16)13-19/h1-6,13-15,24,29H,7-12H2,(H,25,28)
InChIKeyJXLKDKXRXDDNEB-UHFFFAOYSA-N
MW456.53 g/mol
LogP0.85
Rot. Bonds7

About N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 10127592) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID10127592
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C21H24N6O4S/c28-20(25-29)18-14-22-21(23-15-18)27-11-9-26(10-12-27)8-7-24-32(30,31)19-6-5-16-3-1-2-4-17(16)13-19/h1-6,13-15,24,29H,7-12H2,(H,25,28)
InChIKeyJXLKDKXRXDDNEB-UHFFFAOYSA-N
XLogP0.85
TPSA127.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide (CID 10127592) is N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCN(CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is JXLKDKXRXDDNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c28-20(25-29)18-14-22-21(23-15-18)27-11-9-26(10-12-27)8-7-24-32(30,31)19-6-5-16-3-1-2-4-17(16)13-19/h1-6,13-15,24,29H,7-12H2,(H,25,28).
What are the key properties of N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 10127592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).