tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate

C13H18FN3O4 — CID 146662629

IUPACtert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C13H18FN3O4/c1-13(2,3)21-12(20)16-6-8(14)11(19)17-9-7-15-5-4-10(9)18/h4-5,7-8H,6H2,1-3H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyYHDJRYVRBXCRCY-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.18
Rot. Bonds4

About tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate

tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate (PubChem CID 146662629) has the molecular formula C13H18FN3O4 and a molecular weight of 299.30 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate
PubChem CID146662629
Molecular FormulaC13H18FN3O4
Molecular Weight299.30 g/mol
Exact Mass299.13
IUPAC Nametert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C13H18FN3O4/c1-13(2,3)21-12(20)16-6-8(14)11(19)17-9-7-15-5-4-10(9)18/h4-5,7-8H,6H2,1-3H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyYHDJRYVRBXCRCY-UHFFFAOYSA-N
XLogP1.18
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
CID 169466990
tert-butyl N-[2-(methylamino)-2-(1H-pyrrol-3-yl)ethyl]carbamate
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tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate
CID 170489943
tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate
CID 141041637
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
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tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[2-(2-methylhydrazinyl)-2-oxo-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116849478
tert-butyl N-[3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170833226
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate (CID 146662629) is tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCC(F)C(=O)Nc1c[nH]ccc1=O.
What is the InChIKey of tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate?
The InChIKey is YHDJRYVRBXCRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O4/c1-13(2,3)21-12(20)16-6-8(14)11(19)17-9-7-15-5-4-10(9)18/h4-5,7-8H,6H2,1-3H3,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate?
tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate has a molecular weight of 299.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate is sourced from PubChem (CID 146662629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).