5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide

C26H31N5O2 — CID 89195281

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESC=C1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)n2)CC(C)(C)O1
InChIInChI=1S/C26H31N5O2/c1-16-12-18(13-26(4,5)33-16)20-6-7-21(31-24(32)23-28-15-19(14-27)29-23)22(30-20)17-8-10-25(2,3)11-9-17/h6-8,15,18H,1,9-13H2,2-5H3,(H,28,29)(H,31,32)
InChIKeyHLCLGWMLIRYQKB-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.71
Rot. Bonds4

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide (PubChem CID 89195281) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
PubChem CID89195281
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESC=C1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)n2)CC(C)(C)O1
InChIInChI=1S/C26H31N5O2/c1-16-12-18(13-26(4,5)33-16)20-6-7-21(31-24(32)23-28-15-19(14-27)29-23)22(30-20)17-8-10-25(2,3)11-9-17/h6-8,15,18H,1,9-13H2,2-5H3,(H,28,29)(H,31,32)
InChIKeyHLCLGWMLIRYQKB-UHFFFAOYSA-N
XLogP5.71
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide (CID 89195281) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide is C=C1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)n2)CC(C)(C)O1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The InChIKey is HLCLGWMLIRYQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-16-12-18(13-26(4,5)33-16)20-6-7-21(31-24(32)23-28-15-19(14-27)29-23)22(30-20)17-8-10-25(2,3)11-9-17/h6-8,15,18H,1,9-13H2,2-5H3,(H,28,29)(H,31,32).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2-dimethyl-6-methylideneoxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 89195281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).