3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid

C23H20Cl2N4O4 — CID 18768256

IUPAC3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid
SMILESO=C(O)CC(CC(=O)NNC(=O)c1cccc(Nc2ccccn2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H20Cl2N4O4/c24-17-8-15(9-18(25)13-17)16(12-22(31)32)11-21(30)28-29-23(33)14-4-3-5-19(10-14)27-20-6-1-2-7-26-20/h1-10,13,16H,11-12H2,(H,26,27)(H,28,30)(H,29,33)(H,31,32)
InChIKeyGWLCGVOXRULCBR-UHFFFAOYSA-N
MW487.34 g/mol
LogP4.54
Rot. Bonds8

About 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid

3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid (PubChem CID 18768256) has the molecular formula C23H20Cl2N4O4 and a molecular weight of 487.34 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid
PubChem CID18768256
Molecular FormulaC23H20Cl2N4O4
Molecular Weight487.34 g/mol
Exact Mass486.09
IUPAC Name3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid
SMILESO=C(O)CC(CC(=O)NNC(=O)c1cccc(Nc2ccccn2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H20Cl2N4O4/c24-17-8-15(9-18(25)13-17)16(12-22(31)32)11-21(30)28-29-23(33)14-4-3-5-19(10-14)27-20-6-1-2-7-26-20/h1-10,13,16H,11-12H2,(H,26,27)(H,28,30)(H,29,33)(H,31,32)
InChIKeyGWLCGVOXRULCBR-UHFFFAOYSA-N
XLogP4.54
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.34
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid (CID 18768256) is 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid is O=C(O)CC(CC(=O)NNC(=O)c1cccc(Nc2ccccn2)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid?
The InChIKey is GWLCGVOXRULCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O4/c24-17-8-15(9-18(25)13-17)16(12-22(31)32)11-21(30)28-29-23(33)14-4-3-5-19(10-14)27-20-6-1-2-7-26-20/h1-10,13,16H,11-12H2,(H,26,27)(H,28,30)(H,29,33)(H,31,32).
What are the key properties of 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid?
3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid has a molecular weight of 487.34 g/mol, XLogP of 4.54, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-oxo-5-[2-[3-(pyridin-2-ylamino)benzoyl]hydrazinyl]pentanoic acid is sourced from PubChem (CID 18768256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).