N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide

C14H18F3N5O3 — CID 10361207

IUPACN-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCC1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N5O3/c15-14(16,17)11-4-5-18-13(19-11)21-20-12(24)10(7-22(25)8-23)6-9-2-1-3-9/h4-5,8-10,25H,1-3,6-7H2,(H,20,24)(H,18,19,21)/t10-/m1/s1
InChIKeyYTSPAHLMGCKFFF-SNVBAGLBSA-N
MW361.32 g/mol
LogP1.59
Rot. Bonds8

About N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide

N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (PubChem CID 10361207) has the molecular formula C14H18F3N5O3 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
PubChem CID10361207
Molecular FormulaC14H18F3N5O3
Molecular Weight361.32 g/mol
Exact Mass361.14
IUPAC NameN-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCC1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N5O3/c15-14(16,17)11-4-5-18-13(19-11)21-20-12(24)10(7-22(25)8-23)6-9-2-1-3-9/h4-5,8-10,25H,1-3,6-7H2,(H,20,24)(H,18,19,21)/t10-/m1/s1
InChIKeyYTSPAHLMGCKFFF-SNVBAGLBSA-N
XLogP1.59
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (CID 10361207) is N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCC1)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The InChIKey is YTSPAHLMGCKFFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3N5O3/c15-14(16,17)11-4-5-18-13(19-11)21-20-12(24)10(7-22(25)8-23)6-9-2-1-3-9/h4-5,8-10,25H,1-3,6-7H2,(H,20,24)(H,18,19,21)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide has a molecular weight of 361.32 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclobutylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is sourced from PubChem (CID 10361207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).