N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C19H27F3N6O4 — CID 85082115

About N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 85082115) has the molecular formula C19H27F3N6O4 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
• PubChem CID: 85082115
• Molecular Formula: C19H27F3N6O4
• Molecular Weight: 460.46 g/mol
• Exact Mass: 460.20
• IUPAC Name: N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
• SMILES: O=CN(O)CC(CC1CCCC1)C(=O)NNc1nc(N2CCOCC2)cc(C(F)(F)F)n1
• InChI: InChI=1S/C19H27F3N6O4/c20-19(21,22)15-10-16(27-5-7-32-8-6-27)24-18(23-15)26-25-17(30)14(11-28(31)12-29)9-13-3-1-2-4-13/h10,12-14,31H,1-9,11H2,(H,25,30)(H,23,24,26)
• InChIKey: AQYFZTUHVKJKIC-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 119.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.46
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The IUPAC name of N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 85082115) is N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

What is the SMILES notation for N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The canonical SMILES for N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is O=CN(O)CC(CC1CCCC1)C(=O)NNc1nc(N2CCOCC2)cc(C(F)(F)F)n1.

What is the InChIKey of N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The InChIKey is AQYFZTUHVKJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6O4/c20-19(21,22)15-10-16(27-5-7-32-8-6-27)24-18(23-15)26-25-17(30)14(11-28(31)12-29)9-13-3-1-2-4-13/h10,12-14,31H,1-9,11H2,(H,25,30)(H,23,24,26).

What are the key properties of N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 460.46 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 85082115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).