tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate

C12H18N2O3 — CID 102545706

IUPACtert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCc1cc(=O)[nH]cc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3/c1-8-5-10(15)13-6-9(8)7-14-11(16)17-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyKBPPLTPMAMQSFV-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.71
Rot. Bonds2

About tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate

tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate (PubChem CID 102545706) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
PubChem CID102545706
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCc1cc(=O)[nH]cc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3/c1-8-5-10(15)13-6-9(8)7-14-11(16)17-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyKBPPLTPMAMQSFV-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-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
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4-methyl-5-(methylaminomethyl)-1H-pyridin-2-one
CID 102545713
tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
CID 164643510
tert-butyl N-[(4-ethynyl-2-methylphenyl)methyl]carbamate
CID 166459968
tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate
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tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
2-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]terephthalic acid
CID 118136708
tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate
CID 69279574
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
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ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-pyrrole-3-carboxylate
CID 140529321
tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate
CID 134320057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate (CID 102545706) is tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate is Cc1cc(=O)[nH]cc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate?
The InChIKey is KBPPLTPMAMQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-5-10(15)13-6-9(8)7-14-11(16)17-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate?
tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-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-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate is sourced from PubChem (CID 102545706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).