ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate

C15H15F2N3O3 — CID 167435381

IUPACethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1nc(OCc2ccc(F)cc2)c(F)cc1N
InChIInChI=1S/C15H15F2N3O3/c1-2-22-15(21)20-13-12(18)7-11(17)14(19-13)23-8-9-3-5-10(16)6-4-9/h3-7H,2,8,18H2,1H3,(H,19,20,21)
InChIKeyQDCSPVGADJKDGK-UHFFFAOYSA-N
MW323.30 g/mol
LogP3.09
Rot. Bonds5

About ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate

ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate (PubChem CID 167435381) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
PubChem CID167435381
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Nameethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1nc(OCc2ccc(F)cc2)c(F)cc1N
InChIInChI=1S/C15H15F2N3O3/c1-2-22-15(21)20-13-12(18)7-11(17)14(19-13)23-8-9-3-5-10(16)6-4-9/h3-7H,2,8,18H2,1H3,(H,19,20,21)
InChIKeyQDCSPVGADJKDGK-UHFFFAOYSA-N
XLogP3.09
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate (CID 167435381) is ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate is CCOC(=O)Nc1nc(OCc2ccc(F)cc2)c(F)cc1N.
What is the InChIKey of ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate?
The InChIKey is QDCSPVGADJKDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-2-22-15(21)20-13-12(18)7-11(17)14(19-13)23-8-9-3-5-10(16)6-4-9/h3-7H,2,8,18H2,1H3,(H,19,20,21).
What are the key properties of ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate?
ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate has a molecular weight of 323.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate is sourced from PubChem (CID 167435381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).