methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate

C11H16N4O3 — CID 72939847

IUPACmethyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H16N4O3/c1-7(14-11(17)18-2)10(16)15-4-3-8-9(5-15)13-6-12-8/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,17)
InChIKeyQIGNIGJMSDLWMI-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds2

About methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate

methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate (PubChem CID 72939847) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate
PubChem CID72939847
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H16N4O3/c1-7(14-11(17)18-2)10(16)15-4-3-8-9(5-15)13-6-12-8/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,17)
InChIKeyQIGNIGJMSDLWMI-UHFFFAOYSA-N
XLogP0.04
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate?
The IUPAC name of methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate (CID 72939847) is methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate is COC(=O)NC(C)C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate?
The InChIKey is QIGNIGJMSDLWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(14-11(17)18-2)10(16)15-4-3-8-9(5-15)13-6-12-8/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,17).
What are the key properties of methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate?
methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 72939847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).