6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide

C21H25N5O3S — CID 166626920

IUPAC6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cncs3)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C21H25N5O3S/c1-28-8-9-29-17-4-2-16(3-5-17)24-21(27)18-10-15(19-12-23-14-30-19)11-20(25-18)26-7-6-22-13-26/h6-7,10-14,16-17H,2-5,8-9H2,1H3,(H,24,27)
InChIKeyHZHNJDAEFNMYMR-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.09
Rot. Bonds8

About 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide

6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide (PubChem CID 166626920) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide
PubChem CID166626920
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cncs3)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C21H25N5O3S/c1-28-8-9-29-17-4-2-16(3-5-17)24-21(27)18-10-15(19-12-23-14-30-19)11-20(25-18)26-7-6-22-13-26/h6-7,10-14,16-17H,2-5,8-9H2,1H3,(H,24,27)
InChIKeyHZHNJDAEFNMYMR-UHFFFAOYSA-N
XLogP3.09
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(trans-4-(2-Methoxyethoxy)cyclohexyl)-6-(thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 156339417
1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134399485
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 156885803
4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide
CID 156885878
N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
CID 156885909
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 156885939
N-[(3S,4R)-3-hydroxyoxan-4-yl]-1-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 145984661
N-[4-(2-methoxyethoxy)cyclohexyl]-1-methyl-6-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-4-carboxamide
CID 168291170
1-ethyl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-4-carboxamide
CID 168294523
N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 168296139
1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 145982858
Preparation of 4-methyl-1-((2-(piperidin-1-yl)thiazol-4-yl)methyl)-N-(tetrahydro-2H-pyran-3-yl)-1H-pyrrole-2-carboxamide
CID 142463653

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide (CID 166626920) is 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide is COCCOC1CCC(NC(=O)c2cc(-c3cncs3)cc(-n3ccnc3)n2)CC1.
What is the InChIKey of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is HZHNJDAEFNMYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-28-8-9-29-17-4-2-16(3-5-17)24-21(27)18-10-15(19-12-23-14-30-19)11-20(25-18)26-7-6-22-13-26/h6-7,10-14,16-17H,2-5,8-9H2,1H3,(H,24,27).
What are the key properties of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide?
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 166626920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).