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

C20H21N5O4S — CID 10216605

IUPACN-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C20H21N5O4S/c26-19(24-27)16-12-21-20(22-13-16)23-17-7-9-25(10-8-17)30(28,29)18-6-5-14-3-1-2-4-15(14)11-18/h1-6,11-13,17,27H,7-10H2,(H,24,26)(H,21,22,23)
InChIKeyQAQXOXCEYKNOJB-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.01
Rot. Bonds5

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

N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 10216605) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID10216605
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C20H21N5O4S/c26-19(24-27)16-12-21-20(22-13-16)23-17-7-9-25(10-8-17)30(28,29)18-6-5-14-3-1-2-4-15(14)11-18/h1-6,11-13,17,27H,7-10H2,(H,24,26)(H,21,22,23)
InChIKeyQAQXOXCEYKNOJB-UHFFFAOYSA-N
XLogP2.01
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide (CID 10216605) is N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is QAQXOXCEYKNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c26-19(24-27)16-12-21-20(22-13-16)23-17-7-9-25(10-8-17)30(28,29)18-6-5-14-3-1-2-4-15(14)11-18/h1-6,11-13,17,27H,7-10H2,(H,24,26)(H,21,22,23).
What are the key properties of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 10216605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).