tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate

C12H18N2O2 — CID 58477930

IUPACtert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
SMILESCc1cnc(NC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-6-10(13-7-9(8)2)14-11(15)16-12(3,4)5/h6-7H,1-5H3,(H,13,14,15)
InChIKeyNEFKZSHIBBCUBE-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.05
Rot. Bonds1

About tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate

tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate (PubChem CID 58477930) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
PubChem CID58477930
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
SMILESCc1cnc(NC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-6-10(13-7-9(8)2)14-11(15)16-12(3,4)5/h6-7H,1-5H3,(H,13,14,15)
InChIKeyNEFKZSHIBBCUBE-UHFFFAOYSA-N
XLogP3.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate
CID 178139055
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118
1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
CID 177139787
methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
CID 177139769
tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate
CID 76764456
1-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285567
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate (CID 58477930) is tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate is Cc1cnc(NC(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate?
The InChIKey is NEFKZSHIBBCUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-10(13-7-9(8)2)14-11(15)16-12(3,4)5/h6-7H,1-5H3,(H,13,14,15).
What are the key properties of tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate?
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate has a molecular weight of 222.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate is sourced from PubChem (CID 58477930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).