N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide

C17H22F3N5O3 — CID 87264597

IUPACN-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)CC(CC1C2CCC1CC2)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C17H22F3N5O3/c18-17(19,20)14-5-6-21-16(22-14)24-23-15(27)12(8-25(28)9-26)7-13-10-1-2-11(13)4-3-10/h5-6,9-13,28H,1-4,7-8H2,(H,23,27)(H,21,22,24)
InChIKeyQIYNXMNUCKYSFR-UHFFFAOYSA-N
MW401.39 g/mol
LogP2.23
Rot. Bonds8

About N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide

N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (PubChem CID 87264597) has the molecular formula C17H22F3N5O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
PubChem CID87264597
Molecular FormulaC17H22F3N5O3
Molecular Weight401.39 g/mol
Exact Mass401.17
IUPAC NameN-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)CC(CC1C2CCC1CC2)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C17H22F3N5O3/c18-17(19,20)14-5-6-21-16(22-14)24-23-15(27)12(8-25(28)9-26)7-13-10-1-2-11(13)4-3-10/h5-6,9-13,28H,1-4,7-8H2,(H,23,27)(H,21,22,24)
InChIKeyQIYNXMNUCKYSFR-UHFFFAOYSA-N
XLogP2.23
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (CID 87264597) is N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is O=CN(O)CC(CC1C2CCC1CC2)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The InChIKey is QIYNXMNUCKYSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O3/c18-17(19,20)14-5-6-21-16(22-14)24-23-15(27)12(8-25(28)9-26)7-13-10-1-2-11(13)4-3-10/h5-6,9-13,28H,1-4,7-8H2,(H,23,27)(H,21,22,24).
What are the key properties of N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide has a molecular weight of 401.39 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-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is sourced from PubChem (CID 87264597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).