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

C13H16F3N5O3 — CID 10405379

IUPACN-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CC1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5O3/c14-13(15,16)10-3-4-17-12(18-10)20-19-11(23)9(5-8-1-2-8)6-21(24)7-22/h3-4,7-9,24H,1-2,5-6H2,(H,19,23)(H,17,18,20)/t9-/m1/s1
InChIKeyYVJLXFKHMBKNMY-SECBINFHSA-N
MW347.30 g/mol
LogP1.20
Rot. Bonds8

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

N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (PubChem CID 10405379) has the molecular formula C13H16F3N5O3 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
PubChem CID10405379
Molecular FormulaC13H16F3N5O3
Molecular Weight347.30 g/mol
Exact Mass347.12
IUPAC NameN-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CC1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5O3/c14-13(15,16)10-3-4-17-12(18-10)20-19-11(23)9(5-8-1-2-8)6-21(24)7-22/h3-4,7-9,24H,1-2,5-6H2,(H,19,23)(H,17,18,20)/t9-/m1/s1
InChIKeyYVJLXFKHMBKNMY-SECBINFHSA-N
XLogP1.20
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 51.20
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-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (CID 10405379) is N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CC1)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The InChIKey is YVJLXFKHMBKNMY-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3N5O3/c14-13(15,16)10-3-4-17-12(18-10)20-19-11(23)9(5-8-1-2-8)6-21(24)7-22/h3-4,7-9,24H,1-2,5-6H2,(H,19,23)(H,17,18,20)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide has a molecular weight of 347.30 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopropylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is sourced from PubChem (CID 10405379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).