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

C21H26N6O3 — CID 156885976

IUPAC2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)nc(-n3ccnc3)c2)CC1
InChIInChI=1S/C21H26N6O3/c1-29-10-11-30-18-4-2-17(3-5-18)24-21(28)16-12-19(26-8-6-22-14-26)25-20(13-16)27-9-7-23-15-27/h6-9,12-15,17-18H,2-5,10-11H2,1H3,(H,24,28)
InChIKeyXMHQFQHGHKOFFW-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.16
Rot. Bonds8

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

2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide (PubChem CID 156885976) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
PubChem CID156885976
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)nc(-n3ccnc3)c2)CC1
InChIInChI=1S/C21H26N6O3/c1-29-10-11-30-18-4-2-17(3-5-18)24-21(28)16-12-19(26-8-6-22-14-26)25-20(13-16)27-9-7-23-15-27/h6-9,12-15,17-18H,2-5,10-11H2,1H3,(H,24,28)
InChIKeyXMHQFQHGHKOFFW-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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Related Compounds

2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide
CID 155598604
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598624
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
CID 175222075
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide
CID 156733686
[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
CID 165388326
4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane
CID 156885791
3-[(2S)-2-hydroxypyrrolidin-1-yl]-5-imidazol-1-yl-N-(4-methoxycyclohexyl)benzamide
CID 171566244
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 156885949
7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide
CID 172628369
6-imidazol-1-yl-N-(3-methoxycyclopentyl)pyridine-2-carboxamide
CID 166481672
2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786397

Frequently Asked Questions

What is the IUPAC name of 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide (CID 156885976) is 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide is COCCOC1CCC(NC(=O)c2cc(-n3ccnc3)nc(-n3ccnc3)c2)CC1.
What is the InChIKey of 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide?
The InChIKey is XMHQFQHGHKOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-29-10-11-30-18-4-2-17(3-5-18)24-21(28)16-12-19(26-8-6-22-14-26)25-20(13-16)27-9-7-23-15-27/h6-9,12-15,17-18H,2-5,10-11H2,1H3,(H,24,28).
What are the key properties of 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide?
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-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 2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 156885976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).