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

C20H21N5O4S — CID 10194733

IUPACN-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1
InChIInChI=1S/C20H21N5O4S/c26-19(23-27)16-11-21-20(22-12-16)25-9-3-6-17(13-25)24-30(28,29)18-8-7-14-4-1-2-5-15(14)10-18/h1-2,4-5,7-8,10-12,17,24,27H,3,6,9,13H2,(H,23,26)
InChIKeyIVYSPGKMEKDKGW-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.70
Rot. Bonds5

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

N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 10194733) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID10194733
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1
InChIInChI=1S/C20H21N5O4S/c26-19(23-27)16-11-21-20(22-12-16)25-9-3-6-17(13-25)24-30(28,29)18-8-7-14-4-1-2-5-15(14)10-18/h1-2,4-5,7-8,10-12,17,24,27H,3,6,9,13H2,(H,23,26)
InChIKeyIVYSPGKMEKDKGW-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide (CID 10194733) is N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.
What is the InChIKey of N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is IVYSPGKMEKDKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c26-19(23-27)16-11-21-20(22-12-16)25-9-3-6-17(13-25)24-30(28,29)18-8-7-14-4-1-2-5-15(14)10-18/h1-2,4-5,7-8,10-12,17,24,27H,3,6,9,13H2,(H,23,26).
What are the key properties of N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 10194733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).