tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate

C16H18FN3O4 — CID 137450793

IUPACtert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOc1cnc(-n2cccc(NC(=O)OC(C)(C)C)c2=O)c(F)c1
InChIInChI=1S/C16H18FN3O4/c1-16(2,3)24-15(22)19-12-6-5-7-20(14(12)21)13-11(17)8-10(23-4)9-18-13/h5-9H,1-4H3,(H,19,22)
InChIKeyXADSCMBGJRULOI-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450793) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450793
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Nametert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOc1cnc(-n2cccc(NC(=O)OC(C)(C)C)c2=O)c(F)c1
InChIInChI=1S/C16H18FN3O4/c1-16(2,3)24-15(22)19-12-6-5-7-20(14(12)21)13-11(17)8-10(23-4)9-18-13/h5-9H,1-4H3,(H,19,22)
InChIKeyXADSCMBGJRULOI-UHFFFAOYSA-N
XLogP2.73
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate (CID 137450793) is tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate is COc1cnc(-n2cccc(NC(=O)OC(C)(C)C)c2=O)c(F)c1.
What is the InChIKey of tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is XADSCMBGJRULOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-16(2,3)24-15(22)19-12-6-5-7-20(14(12)21)13-11(17)8-10(23-4)9-18-13/h5-9H,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 335.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).