tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate

C14H20N4O2 — CID 143229967

IUPACtert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate
SMILESCc1cc2c(ncn2C)c(N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H20N4O2/c1-9-7-10-11(15-8-17(10)5)12(16-9)18(6)13(19)20-14(2,3)4/h7-8H,1-6H3
InChIKeyHIQAGHKBUXIGJD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.65
Rot. Bonds1

About tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate

tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate (PubChem CID 143229967) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate
PubChem CID143229967
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate
SMILESCc1cc2c(ncn2C)c(N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H20N4O2/c1-9-7-10-11(15-8-17(10)5)12(16-9)18(6)13(19)20-14(2,3)4/h7-8H,1-6H3
InChIKeyHIQAGHKBUXIGJD-UHFFFAOYSA-N
XLogP2.65
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-amino-7-(6-chloro-2-pyridinyl)-1-methylimidazo[4,5-c]pyridin-4-yl]-N-methylcarbamate
CID 88908676
tert-butyl N-[11-(3-cyano-4-fluorophenyl)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]-N-methylcarbamate
CID 67526908
tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate
CID 141203596
[3-[2-[6-amino-1-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[4,5-c]pyridin-7-yl]ethynyl]-5-fluorophenyl] acetate
CID 58758598
tert-butyl N-[11-(3-cyano-5-fluorophenyl)-3-methyl-10-(oxiran-2-ylmethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]-N-methylcarbamate
CID 87432600
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850
tert-butyl N-methyl-N-(3-methylisoquinolin-5-yl)carbamate
CID 155583435
(2,5-dioxocyclopentyl) [3-[3-methyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl carbonate
CID 58758597
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate
CID 152843772
tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate
CID 23625857
tert-butyl 6-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purine-9-carboxylate
CID 138756526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate (CID 143229967) is tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate is Cc1cc2c(ncn2C)c(N(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate?
The InChIKey is HIQAGHKBUXIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-7-10-11(15-8-17(10)5)12(16-9)18(6)13(19)20-14(2,3)4/h7-8H,1-6H3.
What are the key properties of tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate?
tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate has a molecular weight of 276.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,6-dimethylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate is sourced from PubChem (CID 143229967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).