N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid

C67H96F6N12O11 — CID 165003722

About N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid

N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (PubChem CID 165003722) has the molecular formula C67H96F6N12O11 and a molecular weight of 1359.57 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• PubChem CID: 165003722
• Molecular Formula: C67H96F6N12O11
• Molecular Weight: 1359.57 g/mol
• Exact Mass: 1358.72
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• SMILES: Cc1cc(NC(=O)C(=O)N2CCCCC2C2CCC(F)(F)CC2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCCC2C2CCC(F)(F)CC2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C.FC1(F)CCC(C2CCCCN2)CC1
• InChI: InChI=1S/C24H34F2N4O4.C19H26F2N4O2.C13H17N3O5.C11H19F2N/c1-15-13-17(14-27-19(15)29-22(33)34-23(2,3)4)28-20(31)21(32)30-12-6-5-7-18(30)16-8-10-24(25,26)11-9-16;1-12-10-14(11-23-16(12)22)24-17(26)18(27)25-9-3-2-4-15(25)13-5-7-19(20,21)8-6-13;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;12-11(13)6-4-9(5-7-11)10-3-1-2-8-14-10/h13-14,16,18H,5-12H2,1-4H3,(H,28,31)(H,27,29,33);10-11,13,15H,2-9H2,1H3,(H2,22,23)(H,24,26);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);9-10,14H,1-8H2
• InChIKey: IQJSWQUHCFQNNB-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 318.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1359.57
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (CID 165003722) is N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid.

What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is Cc1cc(NC(=O)C(=O)N2CCCCC2C2CCC(F)(F)CC2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCCC2C2CCC(F)(F)CC2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C.FC1(F)CCC(C2CCCCN2)CC1.

What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The InChIKey is IQJSWQUHCFQNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N4O4.C19H26F2N4O2.C13H17N3O5.C11H19F2N/c1-15-13-17(14-27-19(15)29-22(33)34-23(2,3)4)28-20(31)21(32)30-12-6-5-7-18(30)16-8-10-24(25,26)11-9-16;1-12-10-14(11-23-16(12)22)24-17(26)18(27)25-9-3-2-4-15(25)13-5-7-19(20,21)8-6-13;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;12-11(13)6-4-9(5-7-11)10-3-1-2-8-14-10/h13-14,16,18H,5-12H2,1-4H3,(H,28,31)(H,27,29,33);10-11,13,15H,2-9H2,1H3,(H2,22,23)(H,24,26);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);9-10,14H,1-8H2.

What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid has a molecular weight of 1359.57 g/mol, XLogP of 12.71, 8 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;2-(4,4-difluorocyclohexyl)piperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 165003722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).