2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide

C18H24N4O2 — CID 94180241

IUPAC2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H24N4O2/c1-14-4-2-3-5-16(14)24-11-9-21-18(23)15-6-7-20-17(12-15)22-10-8-19-13-22/h6-8,10,12-14,16H,2-5,9,11H2,1H3,(H,21,23)/t14-,16+/m0/s1
InChIKeyNHLQCECQDTZZTE-GOEBONIOSA-N
MW328.42 g/mol
LogP2.59
Rot. Bonds6

About 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide

2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide (PubChem CID 94180241) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide
PubChem CID94180241
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H24N4O2/c1-14-4-2-3-5-16(14)24-11-9-21-18(23)15-6-7-20-17(12-15)22-10-8-19-13-22/h6-8,10,12-14,16H,2-5,9,11H2,1H3,(H,21,23)/t14-,16+/m0/s1
InChIKeyNHLQCECQDTZZTE-GOEBONIOSA-N
XLogP2.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090160
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726445
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
CID 95593788
N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481590
2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 94818852
2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 87011058
3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
CID 51726082
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
2-imidazol-1-yl-N-(2-methylpiperidin-4-yl)pyridine-4-carboxamide;dihydrochloride
CID 120598171
N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 119591870

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide (CID 94180241) is 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide is C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide?
The InChIKey is NHLQCECQDTZZTE-GOEBONIOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-4-2-3-5-16(14)24-11-9-21-18(23)15-6-7-20-17(12-15)22-10-8-19-13-22/h6-8,10,12-14,16H,2-5,9,11H2,1H3,(H,21,23)/t14-,16+/m0/s1.
What are the key properties of 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide?
2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide is sourced from PubChem (CID 94180241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).