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

C24H30Cl2FN5O4 — CID 90977561

IUPAC2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide
SMILESCC(C)N(C)c1cc(C(=O)NNC(=O)c2cc(F)c(OCC3COC(C)(C)N3C)cc2Cl)cc(Cl)n1
InChIInChI=1S/C24H30Cl2FN5O4/c1-13(2)31(5)21-8-14(7-20(26)28-21)22(33)29-30-23(34)16-9-18(27)19(10-17(16)25)35-11-15-12-36-24(3,4)32(15)6/h7-10,13,15H,11-12H2,1-6H3,(H,29,33)(H,30,34)
InChIKeyJHFNRFFARBOHJF-UHFFFAOYSA-N
MW542.44 g/mol
LogP3.89
Rot. Bonds7

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

2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide (PubChem CID 90977561) has the molecular formula C24H30Cl2FN5O4 and a molecular weight of 542.44 g/mol. Its IUPAC name is 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide
PubChem CID90977561
Molecular FormulaC24H30Cl2FN5O4
Molecular Weight542.44 g/mol
Exact Mass541.17
IUPAC Name2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide
SMILESCC(C)N(C)c1cc(C(=O)NNC(=O)c2cc(F)c(OCC3COC(C)(C)N3C)cc2Cl)cc(Cl)n1
InChIInChI=1S/C24H30Cl2FN5O4/c1-13(2)31(5)21-8-14(7-20(26)28-21)22(33)29-30-23(34)16-9-18(27)19(10-17(16)25)35-11-15-12-36-24(3,4)32(15)6/h7-10,13,15H,11-12H2,1-6H3,(H,29,33)(H,30,34)
InChIKeyJHFNRFFARBOHJF-UHFFFAOYSA-N
XLogP3.89
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide?
The IUPAC name of 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide (CID 90977561) is 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide?
The canonical SMILES for 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide is CC(C)N(C)c1cc(C(=O)NNC(=O)c2cc(F)c(OCC3COC(C)(C)N3C)cc2Cl)cc(Cl)n1.
What is the InChIKey of 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide?
The InChIKey is JHFNRFFARBOHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2FN5O4/c1-13(2)31(5)21-8-14(7-20(26)28-21)22(33)29-30-23(34)16-9-18(27)19(10-17(16)25)35-11-15-12-36-24(3,4)32(15)6/h7-10,13,15H,11-12H2,1-6H3,(H,29,33)(H,30,34).
What are the key properties of 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide?
2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide has a molecular weight of 542.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-chloro-5-fluoro-4-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methoxy]benzoyl]-6-[methyl(propan-2-yl)amino]pyridine-4-carbohydrazide is sourced from PubChem (CID 90977561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).