tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate

C13H17FN2O3 — CID 139373602

IUPACtert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@@H]2CC2F)c1=O
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)19-12(18)15-9-5-4-6-16(11(9)17)10-7-8(10)14/h4-6,8,10H,7H2,1-3H3,(H,15,18)/t8?,10-/m1/s1
InChIKeyBNTUQKQBIODXLR-LHIURRSHSA-N
MW268.29 g/mol
LogP2.48
Rot. Bonds2

About tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 139373602) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID139373602
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Nametert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@@H]2CC2F)c1=O
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)19-12(18)15-9-5-4-6-16(11(9)17)10-7-8(10)14/h4-6,8,10H,7H2,1-3H3,(H,15,18)/t8?,10-/m1/s1
InChIKeyBNTUQKQBIODXLR-LHIURRSHSA-N
XLogP2.48
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate
CID 11138359
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-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]carbamate
CID 137450604
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
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-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate (CID 139373602) is tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn([C@@H]2CC2F)c1=O.
What is the InChIKey of tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is BNTUQKQBIODXLR-LHIURRSHSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(2,3)19-12(18)15-9-5-4-6-16(11(9)17)10-7-8(10)14/h4-6,8,10H,7H2,1-3H3,(H,15,18)/t8?,10-/m1/s1.
What are the key properties of tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 268.29 g/mol, XLogP of 2.48, 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-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 139373602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).