tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate

C16H21F2N3O4 — CID 170730479

IUPACtert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OCC2CC2(F)F)cn1
InChIInChI=1S/C16H21F2N3O4/c1-9(22)20-13-5-11(21-14(23)25-15(2,3)4)12(7-19-13)24-8-10-6-16(10,17)18/h5,7,10H,6,8H2,1-4H3,(H2,19,20,21,22,23)
InChIKeyMWOWUBCPPHXEBT-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.42
Rot. Bonds5

About tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate

tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate (PubChem CID 170730479) has the molecular formula C16H21F2N3O4 and a molecular weight of 357.36 g/mol. Its IUPAC name is tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
PubChem CID170730479
Molecular FormulaC16H21F2N3O4
Molecular Weight357.36 g/mol
Exact Mass357.15
IUPAC Nametert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OCC2CC2(F)F)cn1
InChIInChI=1S/C16H21F2N3O4/c1-9(22)20-13-5-11(21-14(23)25-15(2,3)4)12(7-19-13)24-8-10-6-16(10,17)18/h5,7,10H,6,8H2,1-4H3,(H2,19,20,21,22,23)
InChIKeyMWOWUBCPPHXEBT-UHFFFAOYSA-N
XLogP3.42
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate (CID 170730479) is tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate is CC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OCC2CC2(F)F)cn1.
What is the InChIKey of tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate?
The InChIKey is MWOWUBCPPHXEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O4/c1-9(22)20-13-5-11(21-14(23)25-15(2,3)4)12(7-19-13)24-8-10-6-16(10,17)18/h5,7,10H,6,8H2,1-4H3,(H2,19,20,21,22,23).
What are the key properties of tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate?
tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate has a molecular weight of 357.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate is sourced from PubChem (CID 170730479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).