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

C23H24N6O2S — CID 118005607

IUPACN-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=S)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N6O2S/c30-20(28-31)17-15-24-21(25-16-17)27-23(18-7-3-1-4-8-18)11-13-29(14-12-23)22(32)26-19-9-5-2-6-10-19/h1-10,15-16,31H,11-14H2,(H,26,32)(H,28,30)(H,24,25,27)
InChIKeyYTAPUJWMLRAFQT-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.40
Rot. Bonds5

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

N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 118005607) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID118005607
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=S)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N6O2S/c30-20(28-31)17-15-24-21(25-16-17)27-23(18-7-3-1-4-8-18)11-13-29(14-12-23)22(32)26-19-9-5-2-6-10-19/h1-10,15-16,31H,11-14H2,(H,26,32)(H,28,30)(H,24,25,27)
InChIKeyYTAPUJWMLRAFQT-UHFFFAOYSA-N
XLogP3.40
TPSA102.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.40
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]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

Related Compounds

Ricolinostat
CID 53340666
Acy-738
CID 57381425
8-(4-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218659
8-(3-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218660
8-(4,4-dimethylcyclohexyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218662
8-cyclohexyl-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218663
2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
CID 91844718
4-(Benzylamino)-2-(4-morpholinophenylamino)pyrimidine-5-carboxamide
CID 9801356
N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 10286983
4-Benzylamino-2-[(4-piperazin-1-ylphenyl)amino]-pyrimidine-5-carboxamide
CID 23071563
4-[(2-Aminobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 23071571
4-Benzylamino-2-[(4-piperidin-1-ylphenyl)amino]pyrimidine-5-carboxamide
CID 44561430

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 118005607) is N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=S)Nc3ccccc3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is YTAPUJWMLRAFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c30-20(28-31)17-15-24-21(25-16-17)27-23(18-7-3-1-4-8-18)11-13-29(14-12-23)22(32)26-19-9-5-2-6-10-19/h1-10,15-16,31H,11-14H2,(H,26,32)(H,28,30)(H,24,25,27).
What are the key properties of N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[4-phenyl-1-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.40, 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-(phenylcarbamothioyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118005607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).