1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one

C66H77BrN20O8 — CID 158026073

About 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one

1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 158026073) has the molecular formula C66H77BrN20O8 and a molecular weight of 1358.38 g/mol. Its IUPAC name is 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
• PubChem CID: 158026073
• Molecular Formula: C66H77BrN20O8
• Molecular Weight: 1358.38 g/mol
• Exact Mass: 1356.54
• IUPAC Name: 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
• SMILES: CCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CCCC2=O)ncc1N.CCc1cc(N2CCCC2=O)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CCCC2=O)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CCCC2=O)ncc1[N+](=O)[O-]
• InChI: InChI=1S/C19H22N6O.C18H20N6O.C11H13N3O3.C11H15N3O.C7H7BrN2O2/c1-4-13-8-18(25-7-5-6-19(25)26)21-11-16(13)24(3)17-9-15-14(10-20-17)22-12-23(15)2;1-3-12-7-17(24-6-4-5-18(24)25)20-9-13(12)22-16-8-15-14(10-19-16)21-11-23(15)2;1-2-8-6-10(12-7-9(8)14(16)17)13-5-3-4-11(13)15;1-2-8-6-10(13-7-9(8)12)14-5-3-4-11(14)15;1-2-5-3-7(8)9-4-6(5)10(11)12/h8-12H,4-7H2,1-3H3;7-11H,3-6H2,1-2H3,(H,19,22);6-7H,2-5H2,1H3;6-7H,2-5,12H2,1H3;3-4H,2H2,1H3
• InChIKey: FGPTWWLRNGMIGD-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 334.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.38
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?

The IUPAC name of 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one (CID 158026073) is 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one.

What is the SMILES notation for 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?

The canonical SMILES for 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one is CCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CCCC2=O)ncc1N.CCc1cc(N2CCCC2=O)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CCCC2=O)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CCCC2=O)ncc1[N+](=O)[O-].

What is the InChIKey of 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?

The InChIKey is FGPTWWLRNGMIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.C18H20N6O.C11H13N3O3.C11H15N3O.C7H7BrN2O2/c1-4-13-8-18(25-7-5-6-19(25)26)21-11-16(13)24(3)17-9-15-14(10-20-17)22-12-23(15)2;1-3-12-7-17(24-6-4-5-18(24)25)20-9-13(12)22-16-8-15-14(10-19-16)21-11-23(15)2;1-2-8-6-10(12-7-9(8)14(16)17)13-5-3-4-11(13)15;1-2-8-6-10(13-7-9(8)12)14-5-3-4-11(14)15;1-2-5-3-7(8)9-4-6(5)10(11)12/h8-12H,4-7H2,1-3H3;7-11H,3-6H2,1-2H3,(H,19,22);6-7H,2-5H2,1H3;6-7H,2-5,12H2,1H3;3-4H,2H2,1H3.

What are the key properties of 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?

1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 1358.38 g/mol, XLogP of 10.96, 15 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 158026073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).