tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate

C11H14N4O2 — CID 70964464

IUPACtert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nccc2[nH]cnc12
InChIInChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)15-9-8-7(4-5-12-9)13-6-14-8/h4-6H,1-3H3,(H,13,14)(H,12,15,16)
InChIKeyWUULPJCPVQBJNO-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.30
Rot. Bonds1

About tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate

tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate (PubChem CID 70964464) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
PubChem CID70964464
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nametert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nccc2[nH]cnc12
InChIInChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)15-9-8-7(4-5-12-9)13-6-14-8/h4-6H,1-3H3,(H,13,14)(H,12,15,16)
InChIKeyWUULPJCPVQBJNO-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazo[4,5-c]pyridin-4-yl)acetamide
CID 121357632
tert-butyl N-(3-bromo-1H-pyrrolo[3,2-c]pyridin-4-yl)carbamate
CID 59341159
tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
CID 20624434
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
CID 138106122
tert-butyl N-[7-(aminomethyl)-3H-benzimidazol-5-yl]carbamate
CID 142493312
tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate
CID 137153000
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
tert-butyl N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
CID 176894691
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]acetic acid
CID 10913369

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate (CID 70964464) is tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate is CC(C)(C)OC(=O)Nc1nccc2[nH]cnc12.
What is the InChIKey of tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate?
The InChIKey is WUULPJCPVQBJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)15-9-8-7(4-5-12-9)13-6-14-8/h4-6H,1-3H3,(H,13,14)(H,12,15,16).
What are the key properties of tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate?
tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate has a molecular weight of 234.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate is sourced from PubChem (CID 70964464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).