tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate

C15H20F2N2O3 — CID 164555029

IUPACtert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@H]2C[C@]2(C)C(F)F)c1=O
InChIInChI=1S/C15H20F2N2O3/c1-14(2,3)22-13(21)18-9-6-5-7-19(11(9)20)10-8-15(10,4)12(16)17/h5-7,10,12H,8H2,1-4H3,(H,18,21)/t10-,15-/m0/s1
InChIKeyMEVPFUZUTUVYRP-BONVTDFDSA-N
MW314.33 g/mol
LogP3.41
Rot. Bonds3

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

tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 164555029) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID164555029
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Nametert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@H]2C[C@]2(C)C(F)F)c1=O
InChIInChI=1S/C15H20F2N2O3/c1-14(2,3)22-13(21)18-9-6-5-7-19(11(9)20)10-8-15(10,4)12(16)17/h5-7,10,12H,8H2,1-4H3,(H,18,21)/t10-,15-/m0/s1
InChIKeyMEVPFUZUTUVYRP-BONVTDFDSA-N
XLogP3.41
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]carbamate
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methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
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tert-butyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrazolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate (CID 164555029) is tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn([C@H]2C[C@]2(C)C(F)F)c1=O.
What is the InChIKey of tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is MEVPFUZUTUVYRP-BONVTDFDSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-14(2,3)22-13(21)18-9-6-5-7-19(11(9)20)10-8-15(10,4)12(16)17/h5-7,10,12H,8H2,1-4H3,(H,18,21)/t10-,15-/m0/s1.
What are the key properties of tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 314.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 164555029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).