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

C18H23FN4O3 — CID 166481175

IUPAC3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2nc(-n3ccnc3)ccc2F)CC1
InChIInChI=1S/C18H23FN4O3/c1-25-10-11-26-14-4-2-13(3-5-14)21-18(24)17-15(19)6-7-16(22-17)23-9-8-20-12-23/h6-9,12-14H,2-5,10-11H2,1H3,(H,21,24)
InChIKeyXBQSGZASGVNSLN-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.11
Rot. Bonds7

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

3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide (PubChem CID 166481175) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide
PubChem CID166481175
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2nc(-n3ccnc3)ccc2F)CC1
InChIInChI=1S/C18H23FN4O3/c1-25-10-11-26-14-4-2-13(3-5-14)21-18(24)17-15(19)6-7-16(22-17)23-9-8-20-12-23/h6-9,12-14H,2-5,10-11H2,1H3,(H,21,24)
InChIKeyXBQSGZASGVNSLN-UHFFFAOYSA-N
XLogP2.11
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide (CID 166481175) is 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide is COCCOC1CCC(NC(=O)c2nc(-n3ccnc3)ccc2F)CC1.
What is the InChIKey of 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is XBQSGZASGVNSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-25-10-11-26-14-4-2-13(3-5-14)21-18(24)17-15(19)6-7-16(22-17)23-9-8-20-12-23/h6-9,12-14H,2-5,10-11H2,1H3,(H,21,24).
What are the key properties of 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide?
3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 166481175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).