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

C21H26N6O3 — CID 156885878

IUPAC4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C21H26N6O3/c1-29-10-11-30-18-4-2-16(3-5-18)24-21(28)19-12-17(26-8-6-22-14-26)13-20(25-19)27-9-7-23-15-27/h6-9,12-16,18H,2-5,10-11H2,1H3,(H,24,28)
InChIKeyGKMLTGCXDKZHFH-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.16
Rot. Bonds8

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

4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide (PubChem CID 156885878) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide
PubChem CID156885878
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C21H26N6O3/c1-29-10-11-30-18-4-2-16(3-5-18)24-21(28)19-12-17(26-8-6-22-14-26)13-20(25-19)27-9-7-23-15-27/h6-9,12-16,18H,2-5,10-11H2,1H3,(H,24,28)
InChIKeyGKMLTGCXDKZHFH-UHFFFAOYSA-N
XLogP2.16
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.16
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 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide (CID 156885878) is 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide is COCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc(-n3ccnc3)n2)CC1.
What is the InChIKey of 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is GKMLTGCXDKZHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-29-10-11-30-18-4-2-16(3-5-18)24-21(28)19-12-17(26-8-6-22-14-26)13-20(25-19)27-9-7-23-15-27/h6-9,12-16,18H,2-5,10-11H2,1H3,(H,24,28).
What are the key properties of 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide?
4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 156885878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).