4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide

C28H41N5O2 — CID 166734309

IUPAC4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide
SMILESCCC1(C)CC(C2C=CC(NC(=O)C3NC=C(C#N)N3)=C(C3=CCC(C)(C)CC3)N2)CC(C)(C)O1
InChIInChI=1S/C28H41N5O2/c1-7-28(6)15-19(14-27(4,5)35-28)21-8-9-22(33-25(34)24-30-17-20(16-29)31-24)23(32-21)18-10-12-26(2,3)13-11-18/h8-10,17,19,21,24,30-32H,7,11-15H2,1-6H3,(H,33,34)
InChIKeyGFQALEDLQKLCGT-UHFFFAOYSA-N
MW479.67 g/mol
LogP4.24
Rot. Bonds5

About 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide

4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide (PubChem CID 166734309) has the molecular formula C28H41N5O2 and a molecular weight of 479.67 g/mol. Its IUPAC name is 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide
PubChem CID166734309
Molecular FormulaC28H41N5O2
Molecular Weight479.67 g/mol
Exact Mass479.33
IUPAC Name4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide
SMILESCCC1(C)CC(C2C=CC(NC(=O)C3NC=C(C#N)N3)=C(C3=CCC(C)(C)CC3)N2)CC(C)(C)O1
InChIInChI=1S/C28H41N5O2/c1-7-28(6)15-19(14-27(4,5)35-28)21-8-9-22(33-25(34)24-30-17-20(16-29)31-24)23(32-21)18-10-12-26(2,3)13-11-18/h8-10,17,19,21,24,30-32H,7,11-15H2,1-6H3,(H,33,34)
InChIKeyGFQALEDLQKLCGT-UHFFFAOYSA-N
XLogP4.24
TPSA98.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide (CID 166734309) is 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide is CCC1(C)CC(C2C=CC(NC(=O)C3NC=C(C#N)N3)=C(C3=CCC(C)(C)CC3)N2)CC(C)(C)O1.
What is the InChIKey of 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is GFQALEDLQKLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O2/c1-7-28(6)15-19(14-27(4,5)35-28)21-8-9-22(33-25(34)24-30-17-20(16-29)31-24)23(32-21)18-10-12-26(2,3)13-11-18/h8-10,17,19,21,24,30-32H,7,11-15H2,1-6H3,(H,33,34).
What are the key properties of 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide?
4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 479.67 g/mol, XLogP of 4.24, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[6-(4,4-dimethylcyclohexen-1-yl)-2-(2-ethyl-2,6,6-trimethyloxan-4-yl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 166734309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).