4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate

C15H18N3O4- — CID 2339609

IUPAC4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate
SMILESCCOC(=O)N1CC=C(NNc2ccc(C(=O)[O-])cc2)CC1
InChIInChI=1S/C15H19N3O4/c1-2-22-15(21)18-9-7-13(8-10-18)17-16-12-5-3-11(4-6-12)14(19)20/h3-7,16-17H,2,8-10H2,1H3,(H,19,20)/p-1
InChIKeyDFOQEIJFRIRMNE-UHFFFAOYSA-M
MW304.33 g/mol
LogP0.71
Rot. Bonds5

About 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate

4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate (PubChem CID 2339609) has the molecular formula C15H18N3O4- and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate
PubChem CID2339609
Molecular FormulaC15H18N3O4-
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate
SMILESCCOC(=O)N1CC=C(NNc2ccc(C(=O)[O-])cc2)CC1
InChIInChI=1S/C15H19N3O4/c1-2-22-15(21)18-9-7-13(8-10-18)17-16-12-5-3-11(4-6-12)14(19)20/h3-7,16-17H,2,8-10H2,1H3,(H,19,20)/p-1
InChIKeyDFOQEIJFRIRMNE-UHFFFAOYSA-M
XLogP0.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 13067814
ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12582758
1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine
CID 2343911
4-chloro-3-[2-(1-ethoxycarbonylpiperidin-4-ylidene)hydrazinyl]benzoate
CID 8973679
methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 15565780
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72921925
ethyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinylidene]piperidine-1-carboxylate
CID 9466019
ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8932201
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate?
The IUPAC name of 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate (CID 2339609) is 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate.
What is the SMILES notation for 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate?
The canonical SMILES for 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate is CCOC(=O)N1CC=C(NNc2ccc(C(=O)[O-])cc2)CC1.
What is the InChIKey of 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate?
The InChIKey is DFOQEIJFRIRMNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19N3O4/c1-2-22-15(21)18-9-7-13(8-10-18)17-16-12-5-3-11(4-6-12)14(19)20/h3-7,16-17H,2,8-10H2,1H3,(H,19,20)/p-1.
What are the key properties of 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate?
4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate has a molecular weight of 304.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate is sourced from PubChem (CID 2339609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).