4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane

C20H31BrN4O3 — CID 156885791

IUPAC4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane
SMILESCC.COCCOC1CCCCC1.NC(=O)c1cc(Br)cc(-n2ccnc2)n1
InChIInChI=1S/C9H7BrN4O.C9H18O2.C2H6/c10-6-3-7(9(11)15)13-8(4-6)14-2-1-12-5-14;1-10-7-8-11-9-5-3-2-4-6-9;1-2/h1-5H,(H2,11,15);9H,2-8H2,1H3;1-2H3
InChIKeyPNUWNZREOYDSLI-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.14
Rot. Bonds6

About 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane

4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane (PubChem CID 156885791) has the molecular formula C20H31BrN4O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane.

Molecular Properties

Compound Name4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane
PubChem CID156885791
Molecular FormulaC20H31BrN4O3
Molecular Weight455.40 g/mol
Exact Mass454.16
IUPAC Name4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane
SMILESCC.COCCOC1CCCCC1.NC(=O)c1cc(Br)cc(-n2ccnc2)n1
InChIInChI=1S/C9H7BrN4O.C9H18O2.C2H6/c10-6-3-7(9(11)15)13-8(4-6)14-2-1-12-5-14;1-10-7-8-11-9-5-3-2-4-6-9;1-2/h1-5H,(H2,11,15);9H,2-8H2,1H3;1-2H3
InChIKeyPNUWNZREOYDSLI-UHFFFAOYSA-N
XLogP4.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.14
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 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane?
The IUPAC name of 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane (CID 156885791) is 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane.
What is the SMILES notation for 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane?
The canonical SMILES for 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane is CC.COCCOC1CCCCC1.NC(=O)c1cc(Br)cc(-n2ccnc2)n1.
What is the InChIKey of 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane?
The InChIKey is PNUWNZREOYDSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O.C9H18O2.C2H6/c10-6-3-7(9(11)15)13-8(4-6)14-2-1-12-5-14;1-10-7-8-11-9-5-3-2-4-6-9;1-2/h1-5H,(H2,11,15);9H,2-8H2,1H3;1-2H3.
What are the key properties of 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane?
4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane has a molecular weight of 455.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane is sourced from PubChem (CID 156885791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).