N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide

C23H24N6O3 — CID 118005717

IUPACN-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N6O3/c30-20(28-32)17-15-24-21(25-16-17)27-23(18-7-3-1-4-8-18)11-13-29(14-12-23)22(31)26-19-9-5-2-6-10-19/h1-10,15-16,32H,11-14H2,(H,26,31)(H,28,30)(H,24,25,27)
InChIKeyWFKHLNIJJUZWBT-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.23
Rot. Bonds5

About N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 118005717) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID118005717
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N6O3/c30-20(28-32)17-15-24-21(25-16-17)27-23(18-7-3-1-4-8-18)11-13-29(14-12-23)22(31)26-19-9-5-2-6-10-19/h1-10,15-16,32H,11-14H2,(H,26,31)(H,28,30)(H,24,25,27)
InChIKeyWFKHLNIJJUZWBT-UHFFFAOYSA-N
XLogP3.23
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 118005717) is N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is WFKHLNIJJUZWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-20(28-32)17-15-24-21(25-16-17)27-23(18-7-3-1-4-8-18)11-13-29(14-12-23)22(31)26-19-9-5-2-6-10-19/h1-10,15-16,32H,11-14H2,(H,26,31)(H,28,30)(H,24,25,27).
What are the key properties of N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118005717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).