ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate

C20H25FN2O3 — CID 135281878

IUPACethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1cc(C(CCC2CC2)N2C=CCCC2=O)ccc1F
InChIInChI=1S/C20H25FN2O3/c1-2-26-20(25)22-17-13-15(9-10-16(17)21)18(11-8-14-6-7-14)23-12-4-3-5-19(23)24/h4,9-10,12-14,18H,2-3,5-8,11H2,1H3,(H,22,25)
InChIKeyXTIWQZDRAXMKPA-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.76
Rot. Bonds7

About ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate

ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate (PubChem CID 135281878) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate
PubChem CID135281878
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Nameethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1cc(C(CCC2CC2)N2C=CCCC2=O)ccc1F
InChIInChI=1S/C20H25FN2O3/c1-2-26-20(25)22-17-13-15(9-10-16(17)21)18(11-8-14-6-7-14)23-12-4-3-5-19(23)24/h4,9-10,12-14,18H,2-3,5-8,11H2,1H3,(H,22,25)
InChIKeyXTIWQZDRAXMKPA-UHFFFAOYSA-N
XLogP4.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate?
The IUPAC name of ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate (CID 135281878) is ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate.
What is the SMILES notation for ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate?
The canonical SMILES for ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate is CCOC(=O)Nc1cc(C(CCC2CC2)N2C=CCCC2=O)ccc1F.
What is the InChIKey of ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate?
The InChIKey is XTIWQZDRAXMKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-2-26-20(25)22-17-13-15(9-10-16(17)21)18(11-8-14-6-7-14)23-12-4-3-5-19(23)24/h4,9-10,12-14,18H,2-3,5-8,11H2,1H3,(H,22,25).
What are the key properties of ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate?
ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate has a molecular weight of 360.43 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate is sourced from PubChem (CID 135281878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).