methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C14H21N3O3 — CID 74443207

About methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 74443207) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 74443207
• Molecular Formula: C14H21N3O3
• Molecular Weight: 279.34 g/mol
• Exact Mass: 279.16
• IUPAC Name: methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• SMILES: COC(=O)C1Cc2ncn(C)c2CN1C(=O)C(C)(C)C
• InChI: InChI=1S/C14H21N3O3/c1-14(2,3)13(19)17-7-11-9(15-8-16(11)4)6-10(17)12(18)20-5/h8,10H,6-7H2,1-5H3
• InChIKey: RXKKODCIOQZAOQ-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.34
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The IUPAC name of methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 74443207) is methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

What is the SMILES notation for methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The canonical SMILES for methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)C1Cc2ncn(C)c2CN1C(=O)C(C)(C)C.

What is the InChIKey of methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The InChIKey is RXKKODCIOQZAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)13(19)17-7-11-9(15-8-16(11)4)6-10(17)12(18)20-5/h8,10H,6-7H2,1-5H3.

What are the key properties of methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 74443207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).