6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one

C26H33ClN2O2 — CID 58452471

IUPAC6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one
SMILESCCNCCCOc1ccc(/C(=C\C2CCCC2)c2ccc(C3CC3)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C26H33ClN2O2/c1-2-28-14-5-15-31-25-13-10-20(17-23(25)27)22(16-18-6-3-4-7-18)24-12-11-21(19-8-9-19)26(30)29-24/h10-13,16-19,28H,2-9,14-15H2,1H3,(H,29,30)/b22-16+
InChIKeyAKXNJGWCPDBQAY-CJLVFECKSA-N
MW441.02 g/mol
LogP5.91
Rot. Bonds10

About 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one

6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one (PubChem CID 58452471) has the molecular formula C26H33ClN2O2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one
PubChem CID58452471
Molecular FormulaC26H33ClN2O2
Molecular Weight441.02 g/mol
Exact Mass440.22
IUPAC Name6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one
SMILESCCNCCCOc1ccc(/C(=C\C2CCCC2)c2ccc(C3CC3)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C26H33ClN2O2/c1-2-28-14-5-15-31-25-13-10-20(17-23(25)27)22(16-18-6-3-4-7-18)24-12-11-21(19-8-9-19)26(30)29-24/h10-13,16-19,28H,2-9,14-15H2,1H3,(H,29,30)/b22-16+
InChIKeyAKXNJGWCPDBQAY-CJLVFECKSA-N
XLogP5.91
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(3-chloro-4-propoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399572
6-[(E)-1-(3-chloro-4-cyclopentyloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 58452857
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399724
6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one
CID 67397905
6-[1-(3-chloro-4-methylsulfanylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67398693
3-chloro-6-[(E)-1-[3-chloro-4-(4-methylpentoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452440
6-[1-[3-chloro-4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400445
3-chloro-6-[(E)-1-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452378
3-chloro-6-[(E)-1-(3-chloro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452824
3-(2-chloro-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 29015240
3-cyclopropyl-6-[(E)-1-(4-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452244
2-[2-chloro-4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N-ethylethanamine;hydrochloride
CID 171382118

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one (CID 58452471) is 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one is CCNCCCOc1ccc(/C(=C\C2CCCC2)c2ccc(C3CC3)c(=O)[nH]2)cc1Cl.
What is the InChIKey of 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The InChIKey is AKXNJGWCPDBQAY-CJLVFECKSA-N. The full InChI is InChI=1S/C26H33ClN2O2/c1-2-28-14-5-15-31-25-13-10-20(17-23(25)27)22(16-18-6-3-4-7-18)24-12-11-21(19-8-9-19)26(30)29-24/h10-13,16-19,28H,2-9,14-15H2,1H3,(H,29,30)/b22-16+.
What are the key properties of 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one?
6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one has a molecular weight of 441.02 g/mol, XLogP of 5.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one is sourced from PubChem (CID 58452471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).