tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate

C12H18N2O3 — CID 174674918

IUPACtert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
SMILESCOCc1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-9-5-6-10(8-16-4)13-7-9/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyQYRUIIUUYJEMTR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate

tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate (PubChem CID 174674918) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
PubChem CID174674918
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
SMILESCOCc1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-9-5-6-10(8-16-4)13-7-9/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyQYRUIIUUYJEMTR-UHFFFAOYSA-N
XLogP2.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
CID 130338485
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
CID 113012011
tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
CID 123908026
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate (CID 174674918) is tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate is COCc1ccc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate?
The InChIKey is QYRUIIUUYJEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-9-5-6-10(8-16-4)13-7-9/h5-7H,8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate?
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 174674918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).