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

C16H17F2N3O3 — CID 167435383

IUPACpropyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
SMILESCCCOC(=O)Nc1nc(OCc2ccc(F)cc2)c(F)cc1N
InChIInChI=1S/C16H17F2N3O3/c1-2-7-23-16(22)21-14-13(19)8-12(18)15(20-14)24-9-10-3-5-11(17)6-4-10/h3-6,8H,2,7,9,19H2,1H3,(H,20,21,22)
InChIKeyHPFIVZLBTLEOLY-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.48
Rot. Bonds6

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

propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate (PubChem CID 167435383) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
PubChem CID167435383
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Namepropyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
SMILESCCCOC(=O)Nc1nc(OCc2ccc(F)cc2)c(F)cc1N
InChIInChI=1S/C16H17F2N3O3/c1-2-7-23-16(22)21-14-13(19)8-12(18)15(20-14)24-9-10-3-5-11(17)6-4-10/h3-6,8H,2,7,9,19H2,1H3,(H,20,21,22)
InChIKeyHPFIVZLBTLEOLY-UHFFFAOYSA-N
XLogP3.48
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate?
The IUPAC name of propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate (CID 167435383) is propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate.
What is the SMILES notation for propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate?
The canonical SMILES for propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate is CCCOC(=O)Nc1nc(OCc2ccc(F)cc2)c(F)cc1N.
What is the InChIKey of propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate?
The InChIKey is HPFIVZLBTLEOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-2-7-23-16(22)21-14-13(19)8-12(18)15(20-14)24-9-10-3-5-11(17)6-4-10/h3-6,8H,2,7,9,19H2,1H3,(H,20,21,22).
What are the key properties of propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate?
propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate has a molecular weight of 337.33 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate is sourced from PubChem (CID 167435383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).