5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C25H33N5O2 — CID 71021266

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1(C)CC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCCCC3)n2)CC(C)(C)O1
InChIInChI=1S/C25H33N5O2/c1-24(2)12-17(13-25(3,4)32-24)19-10-11-20(21(29-19)16-8-6-5-7-9-16)30-23(31)22-27-15-18(14-26)28-22/h8,10-11,17-18H,5-7,9,12-13,15H2,1-4H3,(H,27,28)(H,30,31)
InChIKeyKPBFYSFAMHTEOG-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.32
Rot. Bonds4

About 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 71021266) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID71021266
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1(C)CC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCCCC3)n2)CC(C)(C)O1
InChIInChI=1S/C25H33N5O2/c1-24(2)12-17(13-25(3,4)32-24)19-10-11-20(21(29-19)16-8-6-5-7-9-16)30-23(31)22-27-15-18(14-26)28-22/h8,10-11,17-18H,5-7,9,12-13,15H2,1-4H3,(H,27,28)(H,30,31)
InChIKeyKPBFYSFAMHTEOG-UHFFFAOYSA-N
XLogP4.32
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

(5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 70839215
4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide
CID 71021206
4-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide
CID 71021207
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71073160
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71073203
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71164508
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71164534
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71164541
5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71164544
ethyl 2-[5-[(5-cyano-4,5-dihydro-1H-imidazole-2-carbonyl)amino]-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate
CID 71164567
5-cyano-N-[6-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylidenecyclohexen-1-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 89250989
4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1,1-dimethylimidazol-1-ium-2-carboxamide
CID 123150322

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 71021266) is 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CC1(C)CC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCCCC3)n2)CC(C)(C)O1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is KPBFYSFAMHTEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-24(2)12-17(13-25(3,4)32-24)19-10-11-20(21(29-19)16-8-6-5-7-9-16)30-23(31)22-27-15-18(14-26)28-22/h8,10-11,17-18H,5-7,9,12-13,15H2,1-4H3,(H,27,28)(H,30,31).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71021266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).