methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate

C13H20N4O3 — CID 79353829

IUPACmethyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H20N4O3/c1-8(13(19)20-3)6-17(2)12(18)10-4-9-11(5-14-10)16-7-15-9/h7-8,10,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyZHQNXSLZVLWPIT-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.31
Rot. Bonds4

About methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate

methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate (PubChem CID 79353829) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate
PubChem CID79353829
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namemethyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H20N4O3/c1-8(13(19)20-3)6-17(2)12(18)10-4-9-11(5-14-10)16-7-15-9/h7-8,10,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyZHQNXSLZVLWPIT-UHFFFAOYSA-N
XLogP-0.31
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate (CID 79353829) is methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate?
The InChIKey is ZHQNXSLZVLWPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(13(19)20-3)6-17(2)12(18)10-4-9-11(5-14-10)16-7-15-9/h7-8,10,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate has a molecular weight of 280.33 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate is sourced from PubChem (CID 79353829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).