N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide

C15H22F3N5O3 — CID 87264638

IUPACN-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide
SMILESCC(C)(C)CCC(CN(O)C=O)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H22F3N5O3/c1-14(2,3)6-4-10(8-23(26)9-24)12(25)21-22-13-19-7-5-11(20-13)15(16,17)18/h5,7,9-10,26H,4,6,8H2,1-3H3,(H,21,25)(H,19,20,22)
InChIKeyKPMRDOQMUUONIV-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.23
Rot. Bonds8

About N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide

N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide (PubChem CID 87264638) has the molecular formula C15H22F3N5O3 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide
PubChem CID87264638
Molecular FormulaC15H22F3N5O3
Molecular Weight377.37 g/mol
Exact Mass377.17
IUPAC NameN-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide
SMILESCC(C)(C)CCC(CN(O)C=O)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H22F3N5O3/c1-14(2,3)6-4-10(8-23(26)9-24)12(25)21-22-13-19-7-5-11(20-13)15(16,17)18/h5,7,9-10,26H,4,6,8H2,1-3H3,(H,21,25)(H,19,20,22)
InChIKeyKPMRDOQMUUONIV-UHFFFAOYSA-N
XLogP2.23
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
CID 87264597
N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
CID 87264301
N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
CID 87264254
N-[5,5-dimethyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]hexyl]-N-hydroxyformamide
CID 87264580
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048
N-hydroxy-N-[2-[[[4-(2,3,4-trimethoxyphenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264534
N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide
CID 154018896
N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264154
N-hydroxy-N-[2-[[[5-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87263925
N-hydroxy-N-[(2S)-2-[[[5-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 135746588
N-hydroxy-N-[(2S)-7,7,7-trifluoro-2-[[(5-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 87263947

Frequently Asked Questions

What is the IUPAC name of N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide?
The IUPAC name of N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide (CID 87264638) is N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide?
The canonical SMILES for N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide is CC(C)(C)CCC(CN(O)C=O)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide?
The InChIKey is KPMRDOQMUUONIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O3/c1-14(2,3)6-4-10(8-23(26)9-24)12(25)21-22-13-19-7-5-11(20-13)15(16,17)18/h5,7,9-10,26H,4,6,8H2,1-3H3,(H,21,25)(H,19,20,22).
What are the key properties of N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide?
N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide has a molecular weight of 377.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide is sourced from PubChem (CID 87264638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).