N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

C17H21N5O3 — CID 155469324

IUPACN-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(CO)CC2)nc1
InChIInChI=1S/C17H21N5O3/c23-12-22-8-6-17(7-9-22,14-4-2-1-3-5-14)20-16-18-10-13(11-19-16)15(24)21-25/h1-5,10-11,23,25H,6-9,12H2,(H,21,24)(H,18,19,20)
InChIKeyMAZMAGUQRONJRM-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.95
Rot. Bonds5

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

N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 155469324) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID155469324
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(CO)CC2)nc1
InChIInChI=1S/C17H21N5O3/c23-12-22-8-6-17(7-9-22,14-4-2-1-3-5-14)20-16-18-10-13(11-19-16)15(24)21-25/h1-5,10-11,23,25H,6-9,12H2,(H,21,24)(H,18,19,20)
InChIKeyMAZMAGUQRONJRM-UHFFFAOYSA-N
XLogP0.95
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.95
H-Bond Donors ≤ 54
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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Related Compounds

N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 118005584
benzyl 4-[[5-(hydroxycarbamoyl)pyrimidin-2-yl]amino]-4-phenylpiperidine-1-carboxylate
CID 118005857
2-[[1-[2-(3a,7a-dihydro-3H-indol-2-yl)acetyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 123908891
2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-nitrosopyrimidine-5-carboxamide
CID 118016848
ethyl 2-[(1-acetyl-4-phenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
CID 118016639
N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 155469284
N-hydroxy-5-iodo-6-[(1-phenylcyclopropyl)amino]pyridine-3-carboxamide
CID 145095862
ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
CID 145295764
2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol
CID 139332383
N-hydroxy-4-[(1-phenylcyclopropyl)amino]benzamide
CID 134492107
2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 74763717
5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide
CID 123600486

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 155469324) is N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CCN(CO)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is MAZMAGUQRONJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-12-22-8-6-17(7-9-22,14-4-2-1-3-5-14)20-16-18-10-13(11-19-16)15(24)21-25/h1-5,10-11,23,25H,6-9,12H2,(H,21,24)(H,18,19,20).
What are the key properties of N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155469324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).