N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C21H33ClFN7O4 — CID 58000557

About N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000557) has the molecular formula C21H33ClFN7O4 and a molecular weight of 501.99 g/mol. Its IUPAC name is N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

• Compound Name: N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
• PubChem CID: 58000557
• Molecular Formula: C21H33ClFN7O4
• Molecular Weight: 501.99 g/mol
• Exact Mass: 501.23
• IUPAC Name: N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
• SMILES: CN(C)C[C@@H]1COCCN1c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
• InChI: InChI=1S/C21H33ClFN7O4/c1-28(2)11-16-12-34-8-7-30(16)19-17(23)18(24-21(22)25-19)26-27-20(32)15(10-29(33)13-31)9-14-5-3-4-6-14/h13-16,33H,3-12H2,1-2H3,(H,27,32)(H,24,25,26)/t15-,16-/m1/s1
• InChIKey: GRIYQRMQSUYESO-HZPDHXFCSA-N
• XLogP: 1.52
• TPSA: 123.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.99
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?

The IUPAC name of N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 58000557) is N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

What is the SMILES notation for N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?

The canonical SMILES for N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is CN(C)C[C@@H]1COCCN1c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F.

What is the InChIKey of N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?

The InChIKey is GRIYQRMQSUYESO-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H33ClFN7O4/c1-28(2)11-16-12-34-8-7-30(16)19-17(23)18(24-21(22)25-19)26-27-20(32)15(10-29(33)13-31)9-14-5-3-4-6-14/h13-16,33H,3-12H2,1-2H3,(H,27,32)(H,24,25,26)/t15-,16-/m1/s1.

What are the key properties of N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?

N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 501.99 g/mol, XLogP of 1.52, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-[2-[2-chloro-6-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).