N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide

C17H19N5O2 — CID 25190149

IUPACN-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
SMILESCc1ccc(N2CC3CC2CN3c2ncc(C(=O)NO)cn2)cc1
InChIInChI=1S/C17H19N5O2/c1-11-2-4-13(5-3-11)21-9-15-6-14(21)10-22(15)17-18-7-12(8-19-17)16(23)20-24/h2-5,7-8,14-15,24H,6,9-10H2,1H3,(H,20,23)
InChIKeyKCKAWWMXIQCXIQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.37
Rot. Bonds3

About N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide (PubChem CID 25190149) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
PubChem CID25190149
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
SMILESCc1ccc(N2CC3CC2CN3c2ncc(C(=O)NO)cn2)cc1
InChIInChI=1S/C17H19N5O2/c1-11-2-4-13(5-3-11)21-9-15-6-14(21)10-22(15)17-18-7-12(8-19-17)16(23)20-24/h2-5,7-8,14-15,24H,6,9-10H2,1H3,(H,20,23)
InChIKeyKCKAWWMXIQCXIQ-UHFFFAOYSA-N
XLogP1.37
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 59783770
N-hydroxy-2-[(1S,4R)-5-(2-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 44538487
tert-butyl (1R,4S)-5-[5-(hydroxycarbamoyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 44538484
N-hydroxy-2-[(1S,4S)-5-[3-[methyl(2-oxoethyl)amino]phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 150726812
2-[(1S,4R)-5-(cyclohexanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 44538381
2-[(4S)-5-(cyclohexanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 87368073
N-hydroxy-2-[5-(pyrrolidine-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 75045116
4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide
CID 160580956
benzyl 5-[5-(hydroxycarbamoyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 25190333
oxan-4-yl (1R,4R)-5-[5-(hydroxycarbamoyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 59783797
N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 75045118
6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane
CID 143892315

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide (CID 25190149) is N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide is Cc1ccc(N2CC3CC2CN3c2ncc(C(=O)NO)cn2)cc1.
What is the InChIKey of N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is KCKAWWMXIQCXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-2-4-13(5-3-11)21-9-15-6-14(21)10-22(15)17-18-7-12(8-19-17)16(23)20-24/h2-5,7-8,14-15,24H,6,9-10H2,1H3,(H,20,23).
What are the key properties of N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 25190149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).