ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate

C16H25N3O2 — CID 70411031

IUPACethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCN1c2ccncc2NC1(C)C
InChIInChI=1S/C16H25N3O2/c1-4-21-15(20)8-6-5-7-11-19-14-9-10-17-12-13(14)18-16(19,2)3/h9-10,12,18H,4-8,11H2,1-3H3
InChIKeyVUTOLFZLLNVQCW-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.17
Rot. Bonds7

About ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate

ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate (PubChem CID 70411031) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate
PubChem CID70411031
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCN1c2ccncc2NC1(C)C
InChIInChI=1S/C16H25N3O2/c1-4-21-15(20)8-6-5-7-11-19-14-9-10-17-12-13(14)18-16(19,2)3/h9-10,12,18H,4-8,11H2,1-3H3
InChIKeyVUTOLFZLLNVQCW-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate
CID 71873788
Ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate
CID 14369752
Ethyl 6-imidazo[4,5-c]pyridin-1-ylhexanoate
CID 14369762
6-(2-Oxo-1-prop-1-en-2-ylimidazo[4,5-c]pyridin-3-yl)hexylcarbamic acid
CID 21273448
7-(1,2-Dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid
CID 22162777
ethyl 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate
CID 57528484
ethyl (3R)-3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
CID 58497411
(R)-3-(6-Methyl-2-oxo-2,3-dihydro-imidazo[4,5-c]pyridin-1-yl)-3-phenyl-propionic acid ethyl ester
CID 58497428
ethyl 3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
CID 66982612
ethyl 3-(6-methyl-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)-3-phenylpropanoate
CID 66982622
ethyl 2-(2-oxo-3-(piperidin-4-yl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)acetate
CID 67335408
6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid
CID 70374418

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate?
The IUPAC name of ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate (CID 70411031) is ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate is CCOC(=O)CCCCCN1c2ccncc2NC1(C)C.
What is the InChIKey of ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate?
The InChIKey is VUTOLFZLLNVQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-21-15(20)8-6-5-7-11-19-14-9-10-17-12-13(14)18-16(19,2)3/h9-10,12,18H,4-8,11H2,1-3H3.
What are the key properties of ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate?
ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate has a molecular weight of 291.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2-dimethyl-3H-imidazo[4,5-c]pyridin-1-yl)hexanoate is sourced from PubChem (CID 70411031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).