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

C19H20N6O5S — CID 58845086

IUPACN-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1NO
InChIInChI=1S/C19H20N6O5S/c26-18(23-28)16-12-20-19(21-17(16)22-27)24-7-9-25(10-8-24)31(29,30)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12,27-28H,7-10H2,(H,23,26)(H,20,21,22)
InChIKeyANHXKALAHJBPEQ-UHFFFAOYSA-N
MW444.47 g/mol
LogP1.06
Rot. Bonds5

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

N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 58845086) has the molecular formula C19H20N6O5S and a molecular weight of 444.47 g/mol. Its IUPAC name is N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID58845086
Molecular FormulaC19H20N6O5S
Molecular Weight444.47 g/mol
Exact Mass444.12
IUPAC NameN-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1NO
InChIInChI=1S/C19H20N6O5S/c26-18(23-28)16-12-20-19(21-17(16)22-27)24-7-9-25(10-8-24)31(29,30)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12,27-28H,7-10H2,(H,23,26)(H,20,21,22)
InChIKeyANHXKALAHJBPEQ-UHFFFAOYSA-N
XLogP1.06
TPSA147.99 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 58844936
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
N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 4997573
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10127592
methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate
CID 58845099
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-4-amine
CID 41263344
3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 71556647

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 58845086) is N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1NO.
What is the InChIKey of N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is ANHXKALAHJBPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5S/c26-18(23-28)16-12-20-19(21-17(16)22-27)24-7-9-25(10-8-24)31(29,30)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12,27-28H,7-10H2,(H,23,26)(H,20,21,22).
What are the key properties of N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 58845086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).