tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate

C20H23FN2O3 — CID 77156771

IUPACtert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1F)C(=O)Cc1ccccn1
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)26-19(25)23-17(12-14-8-4-5-10-16(14)21)18(24)13-15-9-6-7-11-22-15/h4-11,17H,12-13H2,1-3H3,(H,23,25)
InChIKeyUUVATMOVAXWJHK-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.47
Rot. Bonds6

About tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate

tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate (PubChem CID 77156771) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate
PubChem CID77156771
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nametert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1F)C(=O)Cc1ccccn1
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)26-19(25)23-17(12-14-8-4-5-10-16(14)21)18(24)13-15-9-6-7-11-22-15/h4-11,17H,12-13H2,1-3H3,(H,23,25)
InChIKeyUUVATMOVAXWJHK-UHFFFAOYSA-N
XLogP3.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7020831
tert-butyl N-[(2R)-1-[methoxy(methyl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
CID 59799807
tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate
CID 76826502
3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163143488
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 66972690
(2S)-3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 121233378
tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate
CID 121240350
tert-butyl N-[4-(3-acetamido-2-pyridinyl)-1-(2,5-difluorophenyl)-3-oxobutan-2-yl]carbamate
CID 77156867
tert-butyl N-[6-amino-1-oxo-1-(2-pyridin-2-ylethylamino)hexan-2-yl]carbamate
CID 19027342
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
methyl 3-(3-fluoro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156599503
3-(2-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79019960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate (CID 77156771) is tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1F)C(=O)Cc1ccccn1.
What is the InChIKey of tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate?
The InChIKey is UUVATMOVAXWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-20(2,3)26-19(25)23-17(12-14-8-4-5-10-16(14)21)18(24)13-15-9-6-7-11-22-15/h4-11,17H,12-13H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate?
tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate has a molecular weight of 358.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate is sourced from PubChem (CID 77156771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).