tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate

C12H18N2O3 — CID 164643510

IUPACtert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
SMILESCc1cc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-8-5-9(6-10(15)14-8)7-13-11(16)17-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyHKMOTTQWRNQARL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.71
Rot. Bonds2

About tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate

tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate (PubChem CID 164643510) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
PubChem CID164643510
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
SMILESCc1cc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-8-5-9(6-10(15)14-8)7-13-11(16)17-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyHKMOTTQWRNQARL-UHFFFAOYSA-N
XLogP1.71
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
CID 20610080
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
tert-butyl N-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)methyl]carbamate
CID 83669608
tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 102545706
tert-butyl N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]carbamate
CID 118101370
tert-butyl N-[[3,5-difluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]carbamate
CID 170745991
tert-butyl N-[[3-[[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate
CID 135542913
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
[3-fluoro-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 124848654
tert-butyl N-[2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethyl]carbamate
CID 66523332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate (CID 164643510) is tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate is Cc1cc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate?
The InChIKey is HKMOTTQWRNQARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-5-9(6-10(15)14-8)7-13-11(16)17-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate?
tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate is sourced from PubChem (CID 164643510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).