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

C16H22F3N5O3 — CID 10023221

IUPACN-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCCC1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H22F3N5O3/c17-16(18,19)13-6-7-20-15(21-13)23-22-14(26)12(9-24(27)10-25)8-11-4-2-1-3-5-11/h6-7,10-12,27H,1-5,8-9H2,(H,22,26)(H,20,21,23)/t12-/m1/s1
InChIKeyPCQHRXRXFSAGTI-GFCCVEGCSA-N
MW389.38 g/mol
LogP2.37
Rot. Bonds8

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

N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (PubChem CID 10023221) has the molecular formula C16H22F3N5O3 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
PubChem CID10023221
Molecular FormulaC16H22F3N5O3
Molecular Weight389.38 g/mol
Exact Mass389.17
IUPAC NameN-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCCC1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H22F3N5O3/c17-16(18,19)13-6-7-20-15(21-13)23-22-14(26)12(9-24(27)10-25)8-11-4-2-1-3-5-11/h6-7,10-12,27H,1-5,8-9H2,(H,22,26)(H,20,21,23)/t12-/m1/s1
InChIKeyPCQHRXRXFSAGTI-GFCCVEGCSA-N
XLogP2.37
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.37
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'}

Analyze N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (CID 10023221) is N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCCC1)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The InChIKey is PCQHRXRXFSAGTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F3N5O3/c17-16(18,19)13-6-7-20-15(21-13)23-22-14(26)12(9-24(27)10-25)8-11-4-2-1-3-5-11/h6-7,10-12,27H,1-5,8-9H2,(H,22,26)(H,20,21,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide has a molecular weight of 389.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is sourced from PubChem (CID 10023221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).