N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C26H46FN7O3 — CID 163665250

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 163665250) has the molecular formula C26H46FN7O3 and a molecular weight of 523.70 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
• PubChem CID: 163665250
• Molecular Formula: C26H46FN7O3
• Molecular Weight: 523.70 g/mol
• Exact Mass: 523.36
• IUPAC Name: N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
• SMILES: Cc1nc(NCCN(C)CCCCCC(C)C)c(F)c(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)n1
• InChI: InChI=1S/C26H46FN7O3/c1-19(2)10-6-5-9-14-33(4)15-13-28-24-23(27)25(30-20(3)29-24)31-32-26(36)22(17-34(37)18-35)16-21-11-7-8-12-21/h18-19,21-22,37H,5-17H2,1-4H3,(H,32,36)(H2,28,29,30,31)/t22-/m1/s1
• InChIKey: IXVXLTHUSNFSMP-JOCHJYFZSA-N
• XLogP: 3.97
• TPSA: 122.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.70
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 163665250) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NCCN(C)CCCCCC(C)C)c(F)c(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)n1.

What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The InChIKey is IXVXLTHUSNFSMP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H46FN7O3/c1-19(2)10-6-5-9-14-33(4)15-13-28-24-23(27)25(30-20(3)29-24)31-32-26(36)22(17-34(37)18-35)16-21-11-7-8-12-21/h18-19,21-22,37H,5-17H2,1-4H3,(H,32,36)(H2,28,29,30,31)/t22-/m1/s1.

What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 523.70 g/mol, XLogP of 3.97, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[2-[methyl(6-methylheptyl)amino]ethylamino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 163665250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).