tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate

C14H18F2N2O3 — CID 137450604

IUPACtert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C14H18F2N2O3/c1-13(2,3)21-12(20)17-10-5-4-6-18(11(10)19)9-7-14(15,16)8-9/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyVYBQCLSGBFOSIF-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450604) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450604
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Nametert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C14H18F2N2O3/c1-13(2,3)21-12(20)17-10-5-4-6-18(11(10)19)9-7-14(15,16)8-9/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyVYBQCLSGBFOSIF-UHFFFAOYSA-N
XLogP3.17
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-Difluorocyclobutyl)-3-(methylamino)pyridin-2-one
CID 137449445
tert-butyl N-[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450350
tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450509
tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450617
2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450623
tert-butyl N-[1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate
CID 137450640
tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridin-3-yl]carbamate
CID 137450696
tert-butyl N-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]carbamate
CID 137450863
1-(3,3-Difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457388
tert-butyl N-[1-[(2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 137457644
tert-butyl N-[1-(2-fluorocyclopropyl)-2-oxo-3-pyridinyl]carbamate
CID 137457804
tert-butyl N-[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 139373576

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate (CID 137450604) is tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn(C2CC(F)(F)C2)c1=O.
What is the InChIKey of tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is VYBQCLSGBFOSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-13(2,3)21-12(20)17-10-5-4-6-18(11(10)19)9-7-14(15,16)8-9/h4-6,9H,7-8H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 300.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).