N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide

C18H24N4O2 — CID 166481441

IUPACN-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NC1(CO)CCCCCCC1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H24N4O2/c23-13-18(7-4-2-1-3-5-8-18)21-17(24)15-6-9-20-16(12-15)22-11-10-19-14-22/h6,9-12,14,23H,1-5,7-8,13H2,(H,21,24)
InChIKeyLFFLKYLVXMMJGN-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 166481441) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID166481441
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NC1(CO)CCCCCCC1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H24N4O2/c23-13-18(7-4-2-1-3-5-8-18)21-17(24)15-6-9-20-16(12-15)22-11-10-19-14-22/h6,9-12,14,23H,1-5,7-8,13H2,(H,21,24)
InChIKeyLFFLKYLVXMMJGN-UHFFFAOYSA-N
XLogP2.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 166481441) is N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide is O=C(NC1(CO)CCCCCCC1)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is LFFLKYLVXMMJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-13-18(7-4-2-1-3-5-8-18)21-17(24)15-6-9-20-16(12-15)22-11-10-19-14-22/h6,9-12,14,23H,1-5,7-8,13H2,(H,21,24).
What are the key properties of N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 166481441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).