(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide

C17H15N3O3 — CID 24958452

IUPAC(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(C(=O)c1cccnc1)C2)NO
InChIInChI=1S/C17H15N3O3/c21-16(19-23)6-4-12-3-5-14-10-20(11-15(14)8-12)17(22)13-2-1-7-18-9-13/h1-9,23H,10-11H2,(H,19,21)/b6-4+
InChIKeyVKATYJICZYAKMY-GQCTYLIASA-N
MW309.33 g/mol
LogP1.76
Rot. Bonds3

About (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide (PubChem CID 24958452) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
PubChem CID24958452
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(C(=O)c1cccnc1)C2)NO
InChIInChI=1S/C17H15N3O3/c21-16(19-23)6-4-12-3-5-14-10-20(11-15(14)8-12)17(22)13-2-1-7-18-9-13/h1-9,23H,10-11H2,(H,19,21)/b6-4+
InChIKeyVKATYJICZYAKMY-GQCTYLIASA-N
XLogP1.76
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[2-(thiophene-2-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 74373668
[5-[(1E)-3-(hydroxyamino)buta-1,3-dienyl]-1,3-dihydroisoindol-2-yl]-(3-methylphenyl)methanone
CID 143703661
3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73035687
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
CID 23557297
(E)-3-(4-bromophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108924833
3-[2-[4-(dimethylamino)benzoyl]-3,4-dihydro-1H-isoquinolin-6-yl]-N-hydroxyprop-2-enamide
CID 74374405
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
(E)-N-hydroxy-3-(2-thiophen-2-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide
CID 56683440
(E)-N-hydroxy-3-[2-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 24959171
(E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide
CID 71625441

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide (CID 24958452) is (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CN(C(=O)c1cccnc1)C2)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The InChIKey is VKATYJICZYAKMY-GQCTYLIASA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16(19-23)6-4-12-3-5-14-10-20(11-15(14)8-12)17(22)13-2-1-7-18-9-13/h1-9,23H,10-11H2,(H,19,21)/b6-4+.
What are the key properties of (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide has a molecular weight of 309.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide is sourced from PubChem (CID 24958452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).