tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate

C14H20FN3O3 — CID 162439942

IUPACtert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nccc(N2CCOCC2)c1F
InChIInChI=1S/C14H20FN3O3/c1-14(2,3)21-13(19)17-12-11(15)10(4-5-16-12)18-6-8-20-9-7-18/h4-5H,6-9H2,1-3H3,(H,16,17,19)
InChIKeyPFFPVAZABSKUKK-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate

tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate (PubChem CID 162439942) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate
PubChem CID162439942
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Nametert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nccc(N2CCOCC2)c1F
InChIInChI=1S/C14H20FN3O3/c1-14(2,3)21-13(19)17-12-11(15)10(4-5-16-12)18-6-8-20-9-7-18/h4-5H,6-9H2,1-3H3,(H,16,17,19)
InChIKeyPFFPVAZABSKUKK-UHFFFAOYSA-N
XLogP2.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate (CID 162439942) is tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1nccc(N2CCOCC2)c1F.
What is the InChIKey of tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate?
The InChIKey is PFFPVAZABSKUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-14(2,3)21-13(19)17-12-11(15)10(4-5-16-12)18-6-8-20-9-7-18/h4-5H,6-9H2,1-3H3,(H,16,17,19).
What are the key properties of tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate?
tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate has a molecular weight of 297.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoro-4-morpholin-4-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 162439942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).