N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide

C20H29F3N6O4 — CID 87264234

About N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide

N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide (PubChem CID 87264234) has the molecular formula C20H29F3N6O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide.

Molecular Properties

• Compound Name: N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide
• PubChem CID: 87264234
• Molecular Formula: C20H29F3N6O4
• Molecular Weight: 474.48 g/mol
• Exact Mass: 474.22
• IUPAC Name: N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide
• SMILES: CC1CCC([C@H](CN(O)C=O)C(=O)NNc2ncc(N3CCOCC3)c(C(F)(F)F)n2)CC1
• InChI: InChI=1S/C20H29F3N6O4/c1-13-2-4-14(5-3-13)15(11-29(32)12-30)18(31)26-27-19-24-10-16(17(25-19)20(21,22)23)28-6-8-33-9-7-28/h10,12-15,32H,2-9,11H2,1H3,(H,26,31)(H,24,25,27)/t13?,14?,15-/m0/s1
• InChIKey: NFWOBWXOKQLJEK-NRXISQOPSA-N
• XLogP: 2.07
• TPSA: 119.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	2.07
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-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide?

The IUPAC name of N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide (CID 87264234) is N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide.

What is the SMILES notation for N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide?

The canonical SMILES for N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide is CC1CCC([C@H](CN(O)C=O)C(=O)NNc2ncc(N3CCOCC3)c(C(F)(F)F)n2)CC1.

What is the InChIKey of N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide?

The InChIKey is NFWOBWXOKQLJEK-NRXISQOPSA-N. The full InChI is InChI=1S/C20H29F3N6O4/c1-13-2-4-14(5-3-13)15(11-29(32)12-30)18(31)26-27-19-24-10-16(17(25-19)20(21,22)23)28-6-8-33-9-7-28/h10,12-15,32H,2-9,11H2,1H3,(H,26,31)(H,24,25,27)/t13?,14?,15-/m0/s1.

What are the key properties of N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide?

N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide has a molecular weight of 474.48 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide is sourced from PubChem (CID 87264234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).