8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C82H116N24O14 — CID 158612974

About 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 158612974) has the molecular formula C82H116N24O14 and a molecular weight of 1661.98 g/mol. Its IUPAC name is 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 158612974
• Molecular Formula: C82H116N24O14
• Molecular Weight: 1661.98 g/mol
• Exact Mass: 1660.91
• IUPAC Name: 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: COCCCNc1ncc2c(=O)c(C(=O)NOC)cn(C3CCCCC3)c2n1.CONC(=O)c1cn(C2CCCCC2)c2nc(NCCCN(C)C)ncc2c1=O.CONC(=O)c1cn(C2CCCCC2)c2nc(NCCCN3CCOCC3)ncc2c1=O.CONC(=O)c1cn(C2CCCCC2)c2nc(NCCCn3ccnc3)ncc2c1=O
• InChI: InChI=1S/C22H32N6O4.C21H27N7O3.C20H30N6O3.C19H27N5O4/c1-31-26-21(30)18-15-28(16-6-3-2-4-7-16)20-17(19(18)29)14-24-22(25-20)23-8-5-9-27-10-12-32-13-11-27;1-31-26-20(30)17-13-28(15-6-3-2-4-7-15)19-16(18(17)29)12-24-21(25-19)23-8-5-10-27-11-9-22-14-27;1-25(2)11-7-10-21-20-22-12-15-17(27)16(19(28)24-29-3)13-26(18(15)23-20)14-8-5-4-6-9-14;1-27-10-6-9-20-19-21-11-14-16(25)15(18(26)23-28-2)12-24(17(14)22-19)13-7-4-3-5-8-13/h14-16H,2-13H2,1H3,(H,26,30)(H,23,24,25);9,11-15H,2-8,10H2,1H3,(H,26,30)(H,23,24,25);12-14H,4-11H2,1-3H3,(H,24,28)(H,21,22,23);11-13H,3-10H2,1-2H3,(H,23,26)(H,20,21,22)
• InChIKey: HXBFATAWMLNNSW-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 435.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1661.98
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 158612974) is 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is COCCCNc1ncc2c(=O)c(C(=O)NOC)cn(C3CCCCC3)c2n1.CONC(=O)c1cn(C2CCCCC2)c2nc(NCCCN(C)C)ncc2c1=O.CONC(=O)c1cn(C2CCCCC2)c2nc(NCCCN3CCOCC3)ncc2c1=O.CONC(=O)c1cn(C2CCCCC2)c2nc(NCCCn3ccnc3)ncc2c1=O.

What is the InChIKey of 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is HXBFATAWMLNNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4.C21H27N7O3.C20H30N6O3.C19H27N5O4/c1-31-26-21(30)18-15-28(16-6-3-2-4-7-16)20-17(19(18)29)14-24-22(25-20)23-8-5-9-27-10-12-32-13-11-27;1-31-26-20(30)17-13-28(15-6-3-2-4-7-15)19-16(18(17)29)12-24-21(25-19)23-8-5-10-27-11-9-22-14-27;1-25(2)11-7-10-21-20-22-12-15-17(27)16(19(28)24-29-3)13-26(18(15)23-20)14-8-5-4-6-9-14;1-27-10-6-9-20-19-21-11-14-16(25)15(18(26)23-28-2)12-24(17(14)22-19)13-7-4-3-5-8-13/h14-16H,2-13H2,1H3,(H,26,30)(H,23,24,25);9,11-15H,2-8,10H2,1H3,(H,26,30)(H,23,24,25);12-14H,4-11H2,1-3H3,(H,24,28)(H,21,22,23);11-13H,3-10H2,1-2H3,(H,23,26)(H,20,21,22).

What are the key properties of 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1661.98 g/mol, XLogP of 8.00, 32 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclohexyl-2-[3-(dimethylamino)propylamino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-methoxypropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-cyclohexyl-N-methoxy-2-(3-morpholin-4-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 158612974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).