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

C22H19N3O3 — CID 3470056

IUPAC2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid
SMILESCC(/N=C(\c1ccccc1)c1ccccc1NC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C22H19N3O3/c1-15(22(27)28)24-20(16-9-3-2-4-10-16)17-11-5-6-12-18(17)25-21(26)19-13-7-8-14-23-19/h2-15H,1H3,(H,25,26)(H,27,28)/b24-20+
InChIKeyMOSVWXLQJCZPQQ-HIXSDJFHSA-N
MW373.41 g/mol
LogP3.64
Rot. Bonds6

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

2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid (PubChem CID 3470056) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid.

Molecular Properties

Compound Name2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid
PubChem CID3470056
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid
SMILESCC(/N=C(\c1ccccc1)c1ccccc1NC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C22H19N3O3/c1-15(22(27)28)24-20(16-9-3-2-4-10-16)17-11-5-6-12-18(17)25-21(26)19-13-7-8-14-23-19/h2-15H,1H3,(H,25,26)(H,27,28)/b24-20+
InChIKeyMOSVWXLQJCZPQQ-HIXSDJFHSA-N
XLogP3.64
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.64
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-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]pent-4-ynoic acid
CID 10983297
2-ethyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid
CID 11294394
2-benzyl-3-phenyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid
CID 101227294
(Z)-2-[bis(4-fluorophenyl)methyl]-3-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]prop-2-enoic acid
CID 53475255
(Z)-2-[(4-methylphenyl)methyl]-3-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]prop-2-enoic acid
CID 53475166
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
(Z)-2-[(4-chlorophenyl)methyl]-3-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]prop-2-enoic acid
CID 53475075
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
N-(3-acetyl-2-hydroxyphenyl)pyridine-2-carboxamide
CID 68621080
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244

Frequently Asked Questions

What is the IUPAC name of 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid?
The IUPAC name of 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid (CID 3470056) is 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid.
What is the SMILES notation for 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid?
The canonical SMILES for 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid is CC(/N=C(\c1ccccc1)c1ccccc1NC(=O)c1ccccn1)C(=O)O.
What is the InChIKey of 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid?
The InChIKey is MOSVWXLQJCZPQQ-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15(22(27)28)24-20(16-9-3-2-4-10-16)17-11-5-6-12-18(17)25-21(26)19-13-7-8-14-23-19/h2-15H,1H3,(H,25,26)(H,27,28)/b24-20+.
What are the key properties of 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid?
2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid has a molecular weight of 373.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]propanoic acid is sourced from PubChem (CID 3470056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).