N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

C16H22N4O2S — CID 131658412

IUPACN-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCOCCNC(=O)C1CN(Cc2ccsc2)Cc2ncn(C)c21
InChIInChI=1S/C16H22N4O2S/c1-19-11-18-14-9-20(7-12-3-6-23-10-12)8-13(15(14)19)16(21)17-4-5-22-2/h3,6,10-11,13H,4-5,7-9H2,1-2H3,(H,17,21)
InChIKeyIDVDIJVAGFHZEB-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.34
Rot. Bonds6

About N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 131658412) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID131658412
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCOCCNC(=O)C1CN(Cc2ccsc2)Cc2ncn(C)c21
InChIInChI=1S/C16H22N4O2S/c1-19-11-18-14-9-20(7-12-3-6-23-10-12)8-13(15(14)19)16(21)17-4-5-22-2/h3,6,10-11,13H,4-5,7-9H2,1-2H3,(H,17,21)
InChIKeyIDVDIJVAGFHZEB-UHFFFAOYSA-N
XLogP1.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677316
(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124806785
N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677678
(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368289
(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442688
2-[(3aR,7S,7aS)-2-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(2-methoxyethyl)acetamide
CID 97379905
N-(cyclobutylmethyl)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131663942
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155834456
(2S,3aR,6aR)-N-(2-methoxyethyl)-4-(thiophen-3-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124788949
(7R)-5-cyclopentyl-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124808407
5-(furan-2-ylmethyl)-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131658446

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (CID 131658412) is N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is COCCNC(=O)C1CN(Cc2ccsc2)Cc2ncn(C)c21.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is IDVDIJVAGFHZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-19-11-18-14-9-20(7-12-3-6-23-10-12)8-13(15(14)19)16(21)17-4-5-22-2/h3,6,10-11,13H,4-5,7-9H2,1-2H3,(H,17,21).
What are the key properties of N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 131658412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).