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

C9H14N4O2 — CID 84677665

IUPACmethyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate
SMILESCOC(=O)Nc1nc2c(n1C)CNCC2
InChIInChI=1S/C9H14N4O2/c1-13-7-5-10-4-3-6(7)11-8(13)12-9(14)15-2/h10H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyRVVDXZBVUIPILZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.24
Rot. Bonds1

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

methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate (PubChem CID 84677665) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate
PubChem CID84677665
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate
SMILESCOC(=O)Nc1nc2c(n1C)CNCC2
InChIInChI=1S/C9H14N4O2/c1-13-7-5-10-4-3-6(7)11-8(13)12-9(14)15-2/h10H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyRVVDXZBVUIPILZ-UHFFFAOYSA-N
XLogP0.24
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate?
The IUPAC name of methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate (CID 84677665) is methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate.
What is the SMILES notation for methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate?
The canonical SMILES for methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate is COC(=O)Nc1nc2c(n1C)CNCC2.
What is the InChIKey of methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate?
The InChIKey is RVVDXZBVUIPILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-7-5-10-4-3-6(7)11-8(13)12-9(14)15-2/h10H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate?
methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate has a molecular weight of 210.24 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)carbamate is sourced from PubChem (CID 84677665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).