tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate

C14H22N2O3 — CID 144897825

IUPACtert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate
SMILESCOCc1cc(C)cnc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-10-6-11(9-18-5)12(15-7-10)8-16-13(17)19-14(2,3)4/h6-7H,8-9H2,1-5H3,(H,16,17)
InChIKeyVOBQOQJWZBGCLP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate

tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate (PubChem CID 144897825) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate
PubChem CID144897825
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate
SMILESCOCc1cc(C)cnc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-10-6-11(9-18-5)12(15-7-10)8-16-13(17)19-14(2,3)4/h6-7H,8-9H2,1-5H3,(H,16,17)
InChIKeyVOBQOQJWZBGCLP-UHFFFAOYSA-N
XLogP2.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(methoxymethyl)-5-methyl-3-pyridinyl]prop-2-enoate
CID 174510681
tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate
CID 103279355
tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate
CID 90379820
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
tert-butyl N-[3-(3,5-dimethyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831851
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[(2-cyanopyrimidin-5-yl)methyl]carbamate
CID 22476025
6,8-dimethoxy-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]isoquinoline-4-carboxylic acid
CID 59341098
tert-butyl N-[(6,7-dimethoxyisoquinolin-1-yl)methyl]carbamate
CID 141101320
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate (CID 144897825) is tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate is COCc1cc(C)cnc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate?
The InChIKey is VOBQOQJWZBGCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-6-11(9-18-5)12(15-7-10)8-16-13(17)19-14(2,3)4/h6-7H,8-9H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.56, 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-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 144897825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).