ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate

C22H24N6O4 — CID 67760697

IUPACethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)CC(NC(=O)Cn1ccn(-c2ccc(C=NN)cc2)c1=O)c1cccnc1
InChIInChI=1S/C22H24N6O4/c1-2-32-21(30)12-19(17-4-3-9-24-14-17)26-20(29)15-27-10-11-28(22(27)31)18-7-5-16(6-8-18)13-25-23/h3-11,13-14,19H,2,12,15,23H2,1H3,(H,26,29)
InChIKeyFZJLEKADZMHILJ-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.14
Rot. Bonds9

About ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate

ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate (PubChem CID 67760697) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate
PubChem CID67760697
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Nameethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)CC(NC(=O)Cn1ccn(-c2ccc(C=NN)cc2)c1=O)c1cccnc1
InChIInChI=1S/C22H24N6O4/c1-2-32-21(30)12-19(17-4-3-9-24-14-17)26-20(29)15-27-10-11-28(22(27)31)18-7-5-16(6-8-18)13-25-23/h3-11,13-14,19H,2,12,15,23H2,1H3,(H,26,29)
InChIKeyFZJLEKADZMHILJ-UHFFFAOYSA-N
XLogP1.14
TPSA133.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
ethyl 3-[[3-(6-amino-2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]-3-pyridin-3-ylpropanoate
CID 10927381
ethyl (3S)-3-pyridin-3-yl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoate
CID 146150565
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
ethyl 3-[[2-[[3-(phenylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate
CID 22608684
ethyl (3S,5R)-5-(hydroxyamino)-3,5-dipyridin-3-ylpentanoate
CID 124640185
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl (3S)-3-[[2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate
CID 86754780
2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
CID 59951658
ethyl 3-[[2-[(4-methanehydrazonoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 67877425

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate (CID 67760697) is ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate is CCOC(=O)CC(NC(=O)Cn1ccn(-c2ccc(C=NN)cc2)c1=O)c1cccnc1.
What is the InChIKey of ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate?
The InChIKey is FZJLEKADZMHILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-2-32-21(30)12-19(17-4-3-9-24-14-17)26-20(29)15-27-10-11-28(22(27)31)18-7-5-16(6-8-18)13-25-23/h3-11,13-14,19H,2,12,15,23H2,1H3,(H,26,29).
What are the key properties of ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate?
ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate has a molecular weight of 436.47 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[3-(4-methanehydrazonoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 67760697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).