1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione

About 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione

1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione (PubChem CID 172590669) has the molecular formula C46H58FN9O5 and a molecular weight of 836.03 g/mol. Its IUPAC name is 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione.

Molecular Properties

Compound Name	1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione
PubChem CID	172590669
Molecular Formula	C46H58FN9O5
Molecular Weight	836.03 g/mol
Exact Mass	835.45
IUPAC Name	1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione
SMILES	Nc1ncc(F)c(-c2cccc(-n3ccccc3=O)c2)n1.O=C1CCCC(=O)N1.[H]/N=C/c1ccc(C2CCN(CC3CCN(C(=O)OC4CCCCC4)CC3)CC2)cc1NC
InChI	InChI=1S/C26H40N4O2.C15H11FN4O.C5H7NO2/c1-28-25-17-22(7-8-23(25)18-27)21-11-13-29(14-12-21)19-20-9-15-30(16-10-20)26(31)32-24-5-3-2-4-6-24;16-12-9-18-15(17)19-14(12)10-4-3-5-11(8-10)20-7-2-1-6-13(20)21;7-4-2-1-3-5(8)6-4/h7-8,17-18,20-21,24,27-28H,2-6,9-16,19H2,1H3;1-9H,(H2,17,18,19);1-3H2,(H,6,7,8)/b27-18+;;
InChIKey	DLOGFUMEYXDAPC-FDTNUAQMSA-N
XLogP	6.92
TPSA	188.63 Å²
H-Bond Donors	4
H-Bond Acceptors	12
Rotatable Bonds	8
Heavy Atoms	61
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	836.03
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione?

The IUPAC name of 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione (CID 172590669) is 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione.

What is the SMILES notation for 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione?

The canonical SMILES for 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione is Nc1ncc(F)c(-c2cccc(-n3ccccc3=O)c2)n1.O=C1CCCC(=O)N1.[H]/N=C/c1ccc(C2CCN(CC3CCN(C(=O)OC4CCCCC4)CC3)CC2)cc1NC.

What is the InChIKey of 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione?

The InChIKey is DLOGFUMEYXDAPC-FDTNUAQMSA-N. The full InChI is InChI=1S/C26H40N4O2.C15H11FN4O.C5H7NO2/c1-28-25-17-22(7-8-23(25)18-27)21-11-13-29(14-12-21)19-20-9-15-30(16-10-20)26(31)32-24-5-3-2-4-6-24;16-12-9-18-15(17)19-14(12)10-4-3-5-11(8-10)20-7-2-1-6-13(20)21;7-4-2-1-3-5(8)6-4/h7-8,17-18,20-21,24,27-28H,2-6,9-16,19H2,1H3;1-9H,(H2,17,18,19);1-3H2,(H,6,7,8)/b27-18+;;.

What are the key properties of 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione?

1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione has a molecular weight of 836.03 g/mol, XLogP of 6.92, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-amino-5-fluoropyrimidin-4-yl)phenyl]pyridin-2-one;cyclohexyl 4-[[4-[4-methanimidoyl-3-(methylamino)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;piperidine-2,6-dione is sourced from PubChem (CID 172590669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).