N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide

C22H26N6O4S — CID 10151880

IUPACN-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C22H26N6O4S/c29-21(26-30)19-15-23-22(24-16-19)28-12-10-27(11-13-28)9-3-8-25-33(31,32)20-7-6-17-4-1-2-5-18(17)14-20/h1-2,4-7,14-16,25,30H,3,8-13H2,(H,26,29)
InChIKeyYIIYGPFQXURHRE-UHFFFAOYSA-N
MW470.56 g/mol
LogP1.24
Rot. Bonds8

About N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 10151880) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID10151880
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C22H26N6O4S/c29-21(26-30)19-15-23-22(24-16-19)28-12-10-27(11-13-28)9-3-8-25-33(31,32)20-7-6-17-4-1-2-5-18(17)14-20/h1-2,4-7,14-16,25,30H,3,8-13H2,(H,26,29)
InChIKeyYIIYGPFQXURHRE-UHFFFAOYSA-N
XLogP1.24
TPSA127.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide (CID 10151880) is N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCN(CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is YIIYGPFQXURHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c29-21(26-30)19-15-23-22(24-16-19)28-12-10-27(11-13-28)9-3-8-25-33(31,32)20-7-6-17-4-1-2-5-18(17)14-20/h1-2,4-7,14-16,25,30H,3,8-13H2,(H,26,29).
What are the key properties of N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 10151880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).