5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid

C28H32N4O4 — CID 10767331

IUPAC5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid
SMILESCc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C28H32N4O4/c1-20-14-16-30-25(17-20)29-15-6-5-9-26(33)31-32-27(34)18-24(19-28(35)36)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-4,7-8,10-14,16-17,24H,5-6,9,15,18-19H2,1H3,(H,29,30)(H,31,33)(H,32,34)(H,35,36)
InChIKeyPACDIVMUVSJXND-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.44
Rot. Bonds12

About 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid

5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid (PubChem CID 10767331) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid
PubChem CID10767331
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid
SMILESCc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C28H32N4O4/c1-20-14-16-30-25(17-20)29-15-6-5-9-26(33)31-32-27(34)18-24(19-28(35)36)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-4,7-8,10-14,16-17,24H,5-6,9,15,18-19H2,1H3,(H,29,30)(H,31,33)(H,32,34)(H,35,36)
InChIKeyPACDIVMUVSJXND-UHFFFAOYSA-N
XLogP4.44
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid (CID 10767331) is 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid is Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid?
The InChIKey is PACDIVMUVSJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-20-14-16-30-25(17-20)29-15-6-5-9-26(33)31-32-27(34)18-24(19-28(35)36)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-4,7-8,10-14,16-17,24H,5-6,9,15,18-19H2,1H3,(H,29,30)(H,31,33)(H,32,34)(H,35,36).
What are the key properties of 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid?
5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid has a molecular weight of 488.59 g/mol, XLogP of 4.44, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 10767331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).