6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C22H28N6O3 — CID 156885939

IUPAC6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C22H28N6O3/c1-27-14-17(13-24-27)16-11-20(26-21(12-16)28-8-7-23-15-28)22(29)25-18-3-5-19(6-4-18)31-10-9-30-2/h7-8,11-15,18-19H,3-6,9-10H2,1-2H3,(H,25,29)
InChIKeyCQIDSTYZPZRJJW-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.37
Rot. Bonds8

About 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 156885939) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID156885939
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C22H28N6O3/c1-27-14-17(13-24-27)16-11-20(26-21(12-16)28-8-7-23-15-28)22(29)25-18-3-5-19(6-4-18)31-10-9-30-2/h7-8,11-15,18-19H,3-6,9-10H2,1-2H3,(H,25,29)
InChIKeyCQIDSTYZPZRJJW-UHFFFAOYSA-N
XLogP2.37
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 156885939) is 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is COCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)cc(-n3ccnc3)n2)CC1.
What is the InChIKey of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is CQIDSTYZPZRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-27-14-17(13-24-27)16-11-20(26-21(12-16)28-8-7-23-15-28)22(29)25-18-3-5-19(6-4-18)31-10-9-30-2/h7-8,11-15,18-19H,3-6,9-10H2,1-2H3,(H,25,29).
What are the key properties of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 2.37, 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-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 156885939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).