1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide

C20H27FN4O5 — CID 16738836

About 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide

1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide (PubChem CID 16738836) has the molecular formula C20H27FN4O5 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
• PubChem CID: 16738836
• Molecular Formula: C20H27FN4O5
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.20
• IUPAC Name: 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
• SMILES: O=CN(O)CC(CC1CCCC1)C(=O)N1CCCC1C(=O)/N=c1\ccc(F)cn1O
• InChI: InChI=1S/C20H27FN4O5/c21-16-7-8-18(25(30)12-16)22-19(27)17-6-3-9-24(17)20(28)15(11-23(29)13-26)10-14-4-1-2-5-14/h7-8,12-15,17,29-30H,1-6,9-11H2/b22-18+
• InChIKey: GNSUKIDUNJOEOF-RELWKKBWSA-N
• XLogP: 1.33
• TPSA: 115.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide (CID 16738836) is 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide is O=CN(O)CC(CC1CCCC1)C(=O)N1CCCC1C(=O)/N=c1\ccc(F)cn1O.

What is the InChIKey of 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?

The InChIKey is GNSUKIDUNJOEOF-RELWKKBWSA-N. The full InChI is InChI=1S/C20H27FN4O5/c21-16-7-8-18(25(30)12-16)22-19(27)17-6-3-9-24(17)20(28)15(11-23(29)13-26)10-14-4-1-2-5-14/h7-8,12-15,17,29-30H,1-6,9-11H2/b22-18+.

What are the key properties of 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?

1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide is sourced from PubChem (CID 16738836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).