ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate

C24H22N2O2 — CID 156507662

IUPACethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccncc2N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22N2O2/c1-2-28-23(27)24(14-15-24)20-13-16-25-17-21(20)26-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,16-17H,2,14-15H2,1H3
InChIKeyUGIBKUNBMHJJGJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.85
Rot. Bonds6

About ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate

ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate (PubChem CID 156507662) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate
PubChem CID156507662
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Nameethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccncc2N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22N2O2/c1-2-28-23(27)24(14-15-24)20-13-16-25-17-21(20)26-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,16-17H,2,14-15H2,1H3
InChIKeyUGIBKUNBMHJJGJ-UHFFFAOYSA-N
XLogP4.85
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate
CID 59322287
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 1-[4-[4-(pyridin-3-ylmethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 90047724
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 5-(benzhydrylideneamino)-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 10092273
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride
CID 21066
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate
CID 106678097
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
ethyl 3-oxo-2-phenyliminobutanoate
CID 12761518
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl (2R)-2-(benzhydrylideneamino)-2-pyrimidin-5-ylacetate
CID 125495060

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate (CID 156507662) is ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccncc2N=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate?
The InChIKey is UGIBKUNBMHJJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-28-23(27)24(14-15-24)20-13-16-25-17-21(20)26-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,16-17H,2,14-15H2,1H3.
What are the key properties of ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate?
ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(benzhydrylideneamino)-4-pyridinyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 156507662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).