3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

C21H28FN7O2 — CID 143367789

About 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one (PubChem CID 143367789) has the molecular formula C21H28FN7O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
• PubChem CID: 143367789
• Molecular Formula: C21H28FN7O2
• Molecular Weight: 429.50 g/mol
• Exact Mass: 429.23
• IUPAC Name: 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
• SMILES: CNCC1CN(c2ccc(-c3ccc(CNC/C(=C/N)NN)nc3)c(F)c2C)C(=O)O1
• InChI: InChI=1S/C21H28FN7O2/c1-13-19(29-12-17(11-25-2)31-21(29)30)6-5-18(20(13)22)14-3-4-15(27-8-14)9-26-10-16(7-23)28-24/h3-8,17,25-26,28H,9-12,23-24H2,1-2H3/b16-7-
• InChIKey: XLCHDJMGGIWHEL-APSNUPSMSA-N
• XLogP: 1.09
• TPSA: 130.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.50
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one (CID 143367789) is 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one is CNCC1CN(c2ccc(-c3ccc(CNC/C(=C/N)NN)nc3)c(F)c2C)C(=O)O1.

What is the InChIKey of 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?

The InChIKey is XLCHDJMGGIWHEL-APSNUPSMSA-N. The full InChI is InChI=1S/C21H28FN7O2/c1-13-19(29-12-17(11-25-2)31-21(29)30)6-5-18(20(13)22)14-3-4-15(27-8-14)9-26-10-16(7-23)28-24/h3-8,17,25-26,28H,9-12,23-24H2,1-2H3/b16-7-.

What are the key properties of 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?

3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one has a molecular weight of 429.50 g/mol, XLogP of 1.09, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[6-[[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]methyl]-3-pyridinyl]-3-fluoro-2-methylphenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143367789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).