4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide

C21H24N6O4S — CID 58844936

IUPAC4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCN(C)c1nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ncc1C(=O)NO
InChIInChI=1S/C21H24N6O4S/c1-25(2)19-18(20(28)24-29)14-22-21(23-19)26-9-11-27(12-10-26)32(30,31)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14,29H,9-12H2,1-2H3,(H,24,28)
InChIKeyOQWVWXRSPJVMLW-UHFFFAOYSA-N
MW456.53 g/mol
LogP1.33
Rot. Bonds5

About 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide

4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 58844936) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID58844936
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC Name4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCN(C)c1nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ncc1C(=O)NO
InChIInChI=1S/C21H24N6O4S/c1-25(2)19-18(20(28)24-29)14-22-21(23-19)26-9-11-27(12-10-26)32(30,31)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14,29H,9-12H2,1-2H3,(H,24,28)
InChIKeyOQWVWXRSPJVMLW-UHFFFAOYSA-N
XLogP1.33
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 51.33
H-Bond Donors ≤ 52
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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Related Compounds

N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 58845086
1-[4-(dimethylamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-hydroxyethanone;1-fluoro-2-hydroperoxyethyne;dihydrofluoride
CID 161200676
4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 17413776
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 58845010
N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10127592
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
CID 158186855
methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate
CID 58845099

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 58844936) is 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide is CN(C)c1nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ncc1C(=O)NO.
What is the InChIKey of 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is OQWVWXRSPJVMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-25(2)19-18(20(28)24-29)14-22-21(23-19)26-9-11-27(12-10-26)32(30,31)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14,29H,9-12H2,1-2H3,(H,24,28).
What are the key properties of 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 58844936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).