N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide

C24H31ClFN5O4 — CID 90820663

About N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide

N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide (PubChem CID 90820663) has the molecular formula C24H31ClFN5O4 and a molecular weight of 507.99 g/mol. Its IUPAC name is N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide
• PubChem CID: 90820663
• Molecular Formula: C24H31ClFN5O4
• Molecular Weight: 507.99 g/mol
• Exact Mass: 507.20
• IUPAC Name: N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide
• SMILES: Cc1cc(C(=O)NNC(=O)c2cc(F)c(OCC3NC(C)(C)OC3C)cc2Cl)cc(NC(C)C)n1
• InChI: InChI=1S/C24H31ClFN5O4/c1-12(2)27-21-8-15(7-13(3)28-21)22(32)30-31-23(33)16-9-18(26)20(10-17(16)25)34-11-19-14(4)35-24(5,6)29-19/h7-10,12,14,19,29H,11H2,1-6H3,(H,27,28)(H,30,32)(H,31,33)
• InChIKey: NOQXWRPBQYQMGU-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 113.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.99
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide?

The IUPAC name of N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide (CID 90820663) is N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide.

What is the SMILES notation for N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide?

The canonical SMILES for N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(F)c(OCC3NC(C)(C)OC3C)cc2Cl)cc(NC(C)C)n1.

What is the InChIKey of N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide?

The InChIKey is NOQXWRPBQYQMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClFN5O4/c1-12(2)27-21-8-15(7-13(3)28-21)22(32)30-31-23(33)16-9-18(26)20(10-17(16)25)34-11-19-14(4)35-24(5,6)29-19/h7-10,12,14,19,29H,11H2,1-6H3,(H,27,28)(H,30,32)(H,31,33).

What are the key properties of N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide?

N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide has a molecular weight of 507.99 g/mol, XLogP of 3.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-chloro-5-fluoro-4-[(2,2,5-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-2-methyl-6-(propan-2-ylamino)pyridine-4-carbohydrazide is sourced from PubChem (CID 90820663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).