N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide

C22H26N4O5 — CID 170001226

IUPACN-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide
SMILESC=C/C(=C\C=C(/C)CO)CNc1cccc(C(=O)N(N)C2CCC(=O)NC2=O)c1C=O
InChIInChI=1S/C22H26N4O5/c1-3-15(8-7-14(2)12-27)11-24-18-6-4-5-16(17(18)13-28)22(31)26(23)19-9-10-20(29)25-21(19)30/h3-8,13,19,24,27H,1,9-12,23H2,2H3,(H,25,29,30)/b14-7+,15-8+
InChIKeyPJPAHHMWVGNMMR-IROCBMIISA-N
MW426.47 g/mol
LogP1.08
Rot. Bonds9

About N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide

N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide (PubChem CID 170001226) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide
PubChem CID170001226
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide
SMILESC=C/C(=C\C=C(/C)CO)CNc1cccc(C(=O)N(N)C2CCC(=O)NC2=O)c1C=O
InChIInChI=1S/C22H26N4O5/c1-3-15(8-7-14(2)12-27)11-24-18-6-4-5-16(17(18)13-28)22(31)26(23)19-9-10-20(29)25-21(19)30/h3-8,13,19,24,27H,1,9-12,23H2,2H3,(H,25,29,30)/b14-7+,15-8+
InChIKeyPJPAHHMWVGNMMR-IROCBMIISA-N
XLogP1.08
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[(2E,4E)-6-(azocan-1-yl)-2-ethenyl-5-methylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170003163
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol
CID 154690124
3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170384418
tert-butyl 3-[2-[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylanilino]ethoxy]propanoate
CID 166855337
3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide
CID 143339529
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide
CID 143421436
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274
N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane
CID 153393794
N-(2,6-dioxopiperidin-3-yl)-2-formyl-6-(5-hydroxypentyl)-N-methylbenzamide
CID 170109243
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-[[(E)-2-methylbut-1-en-3-ynoxy]methylamino]benzaldehyde
CID 153393843
N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
CID 145381971

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide (CID 170001226) is N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide is C=C/C(=C\C=C(/C)CO)CNc1cccc(C(=O)N(N)C2CCC(=O)NC2=O)c1C=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide?
The InChIKey is PJPAHHMWVGNMMR-IROCBMIISA-N. The full InChI is InChI=1S/C22H26N4O5/c1-3-15(8-7-14(2)12-27)11-24-18-6-4-5-16(17(18)13-28)22(31)26(23)19-9-10-20(29)25-21(19)30/h3-8,13,19,24,27H,1,9-12,23H2,2H3,(H,25,29,30)/b14-7+,15-8+.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide?
N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide has a molecular weight of 426.47 g/mol, XLogP of 1.08, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide is sourced from PubChem (CID 170001226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).