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

C24H28N6O4S — CID 10217742

IUPACN-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)nc1
InChIInChI=1S/C24H28N6O4S/c31-23(27-32)20-16-25-24(26-17-20)29-13-11-28(12-14-29)21-7-9-30(10-8-21)35(33,34)22-6-5-18-3-1-2-4-19(18)15-22/h1-6,15-17,21,32H,7-14H2,(H,27,31)
InChIKeyYEOLJEWRCDOTIH-UHFFFAOYSA-N
MW496.59 g/mol
LogP1.72
Rot. Bonds5

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

N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 10217742) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID10217742
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC NameN-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)nc1
InChIInChI=1S/C24H28N6O4S/c31-23(27-32)20-16-25-24(26-17-20)29-13-11-28(12-14-29)21-7-9-30(10-8-21)35(33,34)22-6-5-18-3-1-2-4-19(18)15-22/h1-6,15-17,21,32H,7-14H2,(H,27,31)
InChIKeyYEOLJEWRCDOTIH-UHFFFAOYSA-N
XLogP1.72
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide (CID 10217742) is N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCN(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is YEOLJEWRCDOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c31-23(27-32)20-16-25-24(26-17-20)29-13-11-28(12-14-29)21-7-9-30(10-8-21)35(33,34)22-6-5-18-3-1-2-4-19(18)15-22/h1-6,15-17,21,32H,7-14H2,(H,27,31).
What are the key properties of N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 10217742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).