4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate

C106H167Cl2N9O24Si — CID 160528434

About 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate

4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate (PubChem CID 160528434) has the molecular formula C106H167Cl2N9O24Si and a molecular weight of 2050.53 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate.

Molecular Properties

• Compound Name: 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate
• PubChem CID: 160528434
• Molecular Formula: C106H167Cl2N9O24Si
• Molecular Weight: 2050.53 g/mol
• Exact Mass: 2048.13
• IUPAC Name: 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate
• SMILES: CC(C)(C)[Si](C)(C)C.CC1CCC(N)CC1.CC1CCC(N)CC1.COC(=O)c1cccn(C2CCC(C)CC2)c1=O.COC(=O)c1cccn(C2CCC(O)CC2)c1=O.COC(=O)c1cccn(C2CCC(OC)CC2)c1=O.COC(=O)c1cccoc1=O.COC1CCC(n2cccc(C(=O)O)c2=O)CC1.COC1CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)CC1.ClCCl.NC1CCC(O)CC1
• InChI: InChI=1S/C17H26N2O4.C14H19NO4.C14H19NO3.2C13H17NO4.2C7H15N.C7H6O4.C7H18Si.C6H13NO.CH2Cl2/c1-17(2,3)23-16(21)18-14-6-5-11-19(15(14)20)12-7-9-13(22-4)10-8-12;1-18-11-7-5-10(6-8-11)15-9-3-4-12(13(15)16)14(17)19-2;1-10-5-7-11(8-6-10)15-9-3-4-12(13(15)16)14(17)18-2;1-18-10-6-4-9(5-7-10)14-8-2-3-11(12(14)15)13(16)17;1-18-13(17)11-3-2-8-14(12(11)16)9-4-6-10(15)7-5-9;2*1-6-2-4-7(8)5-3-6;1-10-6(8)5-3-2-4-11-7(5)9;1-7(2,3)8(4,5)6;7-5-1-3-6(8)4-2-5;2-1-3/h5-6,11-13H,7-10H2,1-4H3,(H,18,21);3-4,9-11H,5-8H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;2-3,8-10H,4-7H2,1H3,(H,16,17);2-3,8-10,15H,4-7H2,1H3;2*6-7H,2-5,8H2,1H3;2-4H,1H3;1-6H3;5-6,8H,1-4,7H2;1H2
• InChIKey: QVFFLBIVBBLICR-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 467.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2050.53
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate?

The IUPAC name of 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate (CID 160528434) is 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate.

What is the SMILES notation for 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate?

The canonical SMILES for 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate is CC(C)(C)[Si](C)(C)C.CC1CCC(N)CC1.CC1CCC(N)CC1.COC(=O)c1cccn(C2CCC(C)CC2)c1=O.COC(=O)c1cccn(C2CCC(O)CC2)c1=O.COC(=O)c1cccn(C2CCC(OC)CC2)c1=O.COC(=O)c1cccoc1=O.COC1CCC(n2cccc(C(=O)O)c2=O)CC1.COC1CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)CC1.ClCCl.NC1CCC(O)CC1.

What is the InChIKey of 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate?

The InChIKey is QVFFLBIVBBLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.C14H19NO4.C14H19NO3.2C13H17NO4.2C7H15N.C7H6O4.C7H18Si.C6H13NO.CH2Cl2/c1-17(2,3)23-16(21)18-14-6-5-11-19(15(14)20)12-7-9-13(22-4)10-8-12;1-18-11-7-5-10(6-8-11)15-9-3-4-12(13(15)16)14(17)19-2;1-10-5-7-11(8-6-10)15-9-3-4-12(13(15)16)14(17)18-2;1-18-10-6-4-9(5-7-10)14-8-2-3-11(12(14)15)13(16)17;1-18-13(17)11-3-2-8-14(12(11)16)9-4-6-10(15)7-5-9;2*1-6-2-4-7(8)5-3-6;1-10-6(8)5-3-2-4-11-7(5)9;1-7(2,3)8(4,5)6;7-5-1-3-6(8)4-2-5;2-1-3/h5-6,11-13H,7-10H2,1-4H3,(H,18,21);3-4,9-11H,5-8H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;2-3,8-10H,4-7H2,1H3,(H,16,17);2-3,8-10,15H,4-7H2,1H3;2*6-7H,2-5,8H2,1H3;2-4H,1H3;1-6H3;5-6,8H,1-4,7H2;1H2.

What are the key properties of 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate?

4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate has a molecular weight of 2050.53 g/mol, XLogP of 18.53, 14 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate is sourced from PubChem (CID 160528434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).