benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate

C16H16N2O3 — CID 156757915

IUPACbenzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C16H16N2O3/c1-12(15(19)14-8-5-9-17-10-14)18-16(20)21-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyPFVZSJAZBWIBCC-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.58
Rot. Bonds5

About benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate

benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate (PubChem CID 156757915) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
PubChem CID156757915
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namebenzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C16H16N2O3/c1-12(15(19)14-8-5-9-17-10-14)18-16(20)21-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyPFVZSJAZBWIBCC-UHFFFAOYSA-N
XLogP2.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 101373667
benzyl N-[(2S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]butan-2-yl]carbamate
CID 35149040
benzyl N-[(2S)-1-(3-bromophenyl)-1-oxopropan-2-yl]carbamate
CID 139886120
benzyl N-(1-pyridin-3-ylethenyl)carbamate
CID 11851043
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 73023394
3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid
CID 22903368
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamate
CID 59135228
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate?
The IUPAC name of benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate (CID 156757915) is benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate is CC(NC(=O)OCc1ccccc1)C(=O)c1cccnc1.
What is the InChIKey of benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate?
The InChIKey is PFVZSJAZBWIBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(15(19)14-8-5-9-17-10-14)18-16(20)21-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,20).
What are the key properties of benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate?
benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate has a molecular weight of 284.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate is sourced from PubChem (CID 156757915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).