2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid

C25H25N3O3 — CID 11294394

IUPAC2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid
SMILESCCC(CC)(/N=C(\c1ccccc1)c1ccccc1NC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C25H25N3O3/c1-3-25(4-2,24(30)31)28-22(18-12-6-5-7-13-18)19-14-8-9-15-20(19)27-23(29)21-16-10-11-17-26-21/h5-17H,3-4H2,1-2H3,(H,27,29)(H,30,31)/b28-22+
InChIKeyVMOIRGOUTNBAJP-XAYXJRQQSA-N
MW415.49 g/mol
LogP4.81
Rot. Bonds8

About 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid

2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid (PubChem CID 11294394) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid
PubChem CID11294394
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid
SMILESCCC(CC)(/N=C(\c1ccccc1)c1ccccc1NC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C25H25N3O3/c1-3-25(4-2,24(30)31)28-22(18-12-6-5-7-13-18)19-14-8-9-15-20(19)27-23(29)21-16-10-11-17-26-21/h5-17H,3-4H2,1-2H3,(H,27,29)(H,30,31)/b28-22+
InChIKeyVMOIRGOUTNBAJP-XAYXJRQQSA-N
XLogP4.81
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-phenyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid
CID 101227294
2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid
CID 3470056
(Z)-2-[(4-methylphenyl)methyl]-3-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]prop-2-enoic acid
CID 53475166
2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]pent-4-ynoic acid
CID 10983297
(Z)-2-[(4-chlorophenyl)methyl]-3-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]prop-2-enoic acid
CID 53475075
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
(Z)-2-[bis(4-fluorophenyl)methyl]-3-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]prop-2-enoic acid
CID 53475255
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
N-(3-acetyl-2-hydroxyphenyl)pyridine-2-carboxamide
CID 68621080
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid (CID 11294394) is 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid is CCC(CC)(/N=C(\c1ccccc1)c1ccccc1NC(=O)c1ccccn1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid?
The InChIKey is VMOIRGOUTNBAJP-XAYXJRQQSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-3-25(4-2,24(30)31)28-22(18-12-6-5-7-13-18)19-14-8-9-15-20(19)27-23(29)21-16-10-11-17-26-21/h5-17H,3-4H2,1-2H3,(H,27,29)(H,30,31)/b28-22+.
What are the key properties of 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid?
2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid has a molecular weight of 415.49 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid is sourced from PubChem (CID 11294394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).