N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide

C20H21N5O5S — CID 10173631

IUPACN-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCC2CN(S(=O)(=O)c3ccc4ccccc4c3)CCO2)nc1
InChIInChI=1S/C20H21N5O5S/c26-19(24-27)16-10-21-20(22-11-16)23-12-17-13-25(7-8-30-17)31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-6,9-11,17,27H,7-8,12-13H2,(H,24,26)(H,21,22,23)
InChIKeyFOZIMNYFLKEYCY-UHFFFAOYSA-N
MW443.49 g/mol
LogP1.25
Rot. Bonds6

About N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide

N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide (PubChem CID 10173631) has the molecular formula C20H21N5O5S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide
PubChem CID10173631
Molecular FormulaC20H21N5O5S
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC NameN-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCC2CN(S(=O)(=O)c3ccc4ccccc4c3)CCO2)nc1
InChIInChI=1S/C20H21N5O5S/c26-19(24-27)16-10-21-20(22-11-16)23-12-17-13-25(7-8-30-17)31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-6,9-11,17,27H,7-8,12-13H2,(H,24,26)(H,21,22,23)
InChIKeyFOZIMNYFLKEYCY-UHFFFAOYSA-N
XLogP1.25
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 51.25
H-Bond Donors ≤ 53
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'}

Analyze N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide (CID 10173631) is N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NCC2CN(S(=O)(=O)c3ccc4ccccc4c3)CCO2)nc1.
What is the InChIKey of N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is FOZIMNYFLKEYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S/c26-19(24-27)16-10-21-20(22-11-16)23-12-17-13-25(7-8-30-17)31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-6,9-11,17,27H,7-8,12-13H2,(H,24,26)(H,21,22,23).
What are the key properties of N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide?
N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 10173631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).