undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate

C25H35N3O3 — CID 171978388

IUPACundecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate
SMILESCCCCCCCCCCCOC(=O)CNc1cccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C25H35N3O3/c1-2-3-4-5-6-7-8-9-12-18-31-24(29)20-27-21-14-13-15-22(19-21)28-25(30)23-16-10-11-17-26-23/h10-11,13-17,19,27H,2-9,12,18,20H2,1H3,(H,28,30)
InChIKeyQXRJMEBVMUGKTJ-UHFFFAOYSA-N
MW425.57 g/mol
LogP5.82
Rot. Bonds15

About undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate

undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate (PubChem CID 171978388) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate.

Molecular Properties

Compound Nameundecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate
PubChem CID171978388
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Nameundecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate
SMILESCCCCCCCCCCCOC(=O)CNc1cccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C25H35N3O3/c1-2-3-4-5-6-7-8-9-12-18-31-24(29)20-27-21-14-13-15-22(19-21)28-25(30)23-16-10-11-17-26-23/h10-11,13-17,19,27H,2-9,12,18,20H2,1H3,(H,28,30)
InChIKeyQXRJMEBVMUGKTJ-UHFFFAOYSA-N
XLogP5.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
octyl 2-(3-chloroanilino)acetate
CID 63541877
butyl 2-(3-acetamidoanilino)acetate
CID 54917754
heptyl 2-anilinoacetate
CID 61302862
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
N-[3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839241
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
propyl 2-(3-chloroanilino)acetate
CID 60835010
octyl 2-[4-[(2-methylphenyl)carbamoyl]anilino]acetate
CID 46502632

Frequently Asked Questions

What is the IUPAC name of undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate?
The IUPAC name of undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate (CID 171978388) is undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate.
What is the SMILES notation for undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate?
The canonical SMILES for undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate is CCCCCCCCCCCOC(=O)CNc1cccc(NC(=O)c2ccccn2)c1.
What is the InChIKey of undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate?
The InChIKey is QXRJMEBVMUGKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-2-3-4-5-6-7-8-9-12-18-31-24(29)20-27-21-14-13-15-22(19-21)28-25(30)23-16-10-11-17-26-23/h10-11,13-17,19,27H,2-9,12,18,20H2,1H3,(H,28,30).
What are the key properties of undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate?
undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate has a molecular weight of 425.57 g/mol, XLogP of 5.82, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate is sourced from PubChem (CID 171978388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).