4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide

C29H41N7O2 — CID 163484831

About 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide

4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide (PubChem CID 163484831) has the molecular formula C29H41N7O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide
• PubChem CID: 163484831
• Molecular Formula: C29H41N7O2
• Molecular Weight: 519.69 g/mol
• Exact Mass: 519.33
• IUPAC Name: 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide
• SMILES: CN1CCN(C2(c3ccc(NC(=O)C4NC=C(C#N)N4C)c(C4=CCC(C)(C)CC4)n3)CCOCC2)CC1
• InChI: InChI=1S/C29H41N7O2/c1-28(2)9-7-21(8-10-28)25-23(32-27(37)26-31-20-22(19-30)35(26)4)5-6-24(33-25)29(11-17-38-18-12-29)36-15-13-34(3)14-16-36/h5-7,20,26,31H,8-18H2,1-4H3,(H,32,37)
• InChIKey: CHRYYUOFIIEMPM-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 96.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.69
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide?

The IUPAC name of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide (CID 163484831) is 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide.

What is the SMILES notation for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide?

The canonical SMILES for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide is CN1CCN(C2(c3ccc(NC(=O)C4NC=C(C#N)N4C)c(C4=CCC(C)(C)CC4)n3)CCOCC2)CC1.

What is the InChIKey of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide?

The InChIKey is CHRYYUOFIIEMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N7O2/c1-28(2)9-7-21(8-10-28)25-23(32-27(37)26-31-20-22(19-30)35(26)4)5-6-24(33-25)29(11-17-38-18-12-29)36-15-13-34(3)14-16-36/h5-7,20,26,31H,8-18H2,1-4H3,(H,32,37).

What are the key properties of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide?

4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide has a molecular weight of 519.69 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[4-(4-methylpiperazin-1-yl)oxan-4-yl]-3-pyridinyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide is sourced from PubChem (CID 163484831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).