benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate

C17H22N2O2 — CID 178058099

IUPACbenzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate
SMILESCC(CC1=CN(C)CC=C1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-14(11-16-9-6-10-19(2)12-16)18-17(20)21-13-15-7-4-3-5-8-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,18,20)
InChIKeyHMVLQUSMSXLTKO-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.08
Rot. Bonds5

About benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate

benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate (PubChem CID 178058099) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate
PubChem CID178058099
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Namebenzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate
SMILESCC(CC1=CN(C)CC=C1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-14(11-16-9-6-10-19(2)12-16)18-17(20)21-13-15-7-4-3-5-8-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,18,20)
InChIKeyHMVLQUSMSXLTKO-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate;N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]formamide
CID 178058098
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate
CID 59963897
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate
CID 102063559
benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
CID 58748908
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate (CID 178058099) is benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate is CC(CC1=CN(C)CC=C1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate?
The InChIKey is HMVLQUSMSXLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14(11-16-9-6-10-19(2)12-16)18-17(20)21-13-15-7-4-3-5-8-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate?
benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(1-methyl-2H-pyridin-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 178058099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).