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

C14H20N2O3 — CID 22747896

IUPACtert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate
SMILESCC(=O)C(Cc1ccncc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-10(17)12(9-11-5-7-15-8-6-11)16-13(18)19-14(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,18)
InChIKeyMZFUGUYJMBFKDU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.11
Rot. Bonds4

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

tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate (PubChem CID 22747896) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate
PubChem CID22747896
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate
SMILESCC(=O)C(Cc1ccncc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-10(17)12(9-11-5-7-15-8-6-11)16-13(18)19-14(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,18)
InChIKeyMZFUGUYJMBFKDU-UHFFFAOYSA-N
XLogP2.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
tert-butyl N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]carbamate
CID 70105453
tert-butyl N-(4-dimethoxyphosphoryl-3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate
CID 87114293
methyl (2S)-2-(methoxycarbonylamino)-3-pyridin-4-ylpropanoate
CID 169081526
tert-butyl N-[(2S)-4-chloro-3-hydroxy-1-pyridin-4-ylbutan-2-yl]carbamate
CID 10590385
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
methyl (2R)-3-(4-acetylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 97359092
methyl 3-(4-acetylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11438624
tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-pyridin-4-ylethyl]carbamate
CID 10587696
tert-butyl N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]carbamate
CID 175811081
tert-butyl N-[(2S)-1-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-3-oxobutan-2-yl]carbamate
CID 88958349
tert-butyl N-[1-amino-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 155783295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate (CID 22747896) is tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate is CC(=O)C(Cc1ccncc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate?
The InChIKey is MZFUGUYJMBFKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)12(9-11-5-7-15-8-6-11)16-13(18)19-14(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate?
tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate is sourced from PubChem (CID 22747896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).