methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate

C14H21N3O3 — CID 155308522

IUPACmethyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(n1C)CCN(C1CCOCC1)C2
InChIInChI=1S/C14H21N3O3/c1-16-12-3-6-17(10-4-7-20-8-5-10)9-11(12)15-13(16)14(18)19-2/h10H,3-9H2,1-2H3
InChIKeyJJMIEMJDZFETRX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.74
Rot. Bonds2

About methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate

methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate (PubChem CID 155308522) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
PubChem CID155308522
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(n1C)CCN(C1CCOCC1)C2
InChIInChI=1S/C14H21N3O3/c1-16-12-3-6-17(10-4-7-20-8-5-10)9-11(12)15-13(16)14(18)19-2/h10H,3-9H2,1-2H3
InChIKeyJJMIEMJDZFETRX-UHFFFAOYSA-N
XLogP0.74
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate (CID 155308522) is methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate is COC(=O)c1nc2c(n1C)CCN(C1CCOCC1)C2.
What is the InChIKey of methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The InChIKey is JJMIEMJDZFETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-12-3-6-17(10-4-7-20-8-5-10)9-11(12)15-13(16)14(18)19-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 155308522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).