N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide

C77H102N16O6 — CID 91443560

About N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 91443560) has the molecular formula C77H102N16O6 and a molecular weight of 1347.77 g/mol. Its IUPAC name is N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 91443560
• Molecular Formula: C77H102N16O6
• Molecular Weight: 1347.77 g/mol
• Exact Mass: 1346.82
• IUPAC Name: N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: [C-]#[N+]c1ccc(C(=O)Nc2ccc(C(C)(C)OCCCN(C)C)nc2C2=CCC3(CCCC3)CC2)o1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)(C)N3CCCCC3)nc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)(C)OCCCC)nc2N2CCCCC2)[nH]1
• InChI: InChI=1S/C29H38N4O3.C26H34N6O.C22H30N6O2/c1-28(2,35-20-8-19-33(4)5)24-11-9-22(31-27(34)23-10-12-25(30-3)36-23)26(32-24)21-13-17-29(18-14-21)15-6-7-16-29;1-25(2)13-11-18(12-14-25)22-19(29-24(33)23-28-17-21(27-5)31-23)9-10-20(30-22)26(3,4)32-15-7-6-8-16-32;1-5-6-14-30-22(2,3)17-11-10-16(20(26-17)28-12-8-7-9-13-28)25-21(29)19-24-15-18(23-4)27-19/h9-13H,6-8,14-20H2,1-2,4-5H3,(H,31,34);9-11,17H,6-8,12-16H2,1-4H3,(H,28,31)(H,29,33);10-11,15H,5-9,12-14H2,1-3H3,(H,24,27)(H,25,29)
• InChIKey: RVVAGGTXLSGIHP-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 237.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.77
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 91443560) is N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide is [C-]#[N+]c1ccc(C(=O)Nc2ccc(C(C)(C)OCCCN(C)C)nc2C2=CCC3(CCCC3)CC2)o1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)(C)N3CCCCC3)nc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)(C)OCCCC)nc2N2CCCCC2)[nH]1.

What is the InChIKey of N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is RVVAGGTXLSGIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3.C26H34N6O.C22H30N6O2/c1-28(2,35-20-8-19-33(4)5)24-11-9-22(31-27(34)23-10-12-25(30-3)36-23)26(32-24)21-13-17-29(18-14-21)15-6-7-16-29;1-25(2)13-11-18(12-14-25)22-19(29-24(33)23-28-17-21(27-5)31-23)9-10-20(30-22)26(3,4)32-15-7-6-8-16-32;1-5-6-14-30-22(2,3)17-11-10-16(20(26-17)28-12-8-7-9-13-28)25-21(29)19-24-15-18(23-4)27-19/h9-13H,6-8,14-20H2,1-2,4-5H3,(H,31,34);9-11,17H,6-8,12-16H2,1-4H3,(H,28,31)(H,29,33);10-11,15H,5-9,12-14H2,1-3H3,(H,24,27)(H,25,29).

What are the key properties of N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?

N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1347.77 g/mol, XLogP of 17.38, 22 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-butoxypropan-2-yl)-2-piperidin-1-yl-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-5-isocyanofuran-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-piperidin-1-ylpropan-2-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91443560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).