(3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C94H132Cl2N16O26 — CID 158746991

About (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 158746991) has the molecular formula C94H132Cl2N16O26 and a molecular weight of 1973.08 g/mol. Its IUPAC name is (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

• Compound Name: (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• PubChem CID: 158746991
• Molecular Formula: C94H132Cl2N16O26
• Molecular Weight: 1973.08 g/mol
• Exact Mass: 1970.89
• IUPAC Name: (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• SMILES: CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OC.CCN1c2ncc(C(=O)OC)cc2CC(=O)[C@@H]1C.CCN1c2ncc(CN3CC=C(c4ccc(Cl)cc4)CC3)cc2NC(=O)[C@@H]1C.CCN1c2ncc(CO)cc2CC(=O)[C@@H]1C.CCN[C@@H](C)C(=O)OC.CCOC(=O)[C@H](C)N(CC)c1ncc(C(=O)OC)cc1[N+](=O)[O-].COC(=O)[C@H](C)NC(=O)OC(C)(C)C.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1
• InChI: InChI=1S/C22H25ClN4O.C14H19N3O6.C13H16N2O3.C12H16N2O2.C11H21NO4.C9H17NO4.C7H5ClN2O4.C6H13NO2/c1-3-27-15(2)22(28)25-20-12-16(13-24-21(20)27)14-26-10-8-18(9-11-26)17-4-6-19(23)7-5-17;1-5-16(9(3)13(18)23-6-2)12-11(17(20)21)7-10(8-15-12)14(19)22-4;1-4-15-8(2)11(16)6-9-5-10(13(17)18-3)7-14-12(9)15;1-3-14-8(2)11(16)5-10-4-9(7-15)6-13-12(10)14;1-7-12(8(2)9(13)15-6)10(14)16-11(3,4)5;1-6(7(11)13-5)10-8(12)14-9(2,3)4;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-4-7-5(2)6(8)9-3/h4-8,12-13,15H,3,9-11,14H2,1-2H3,(H,25,28);7-9H,5-6H2,1-4H3;5,7-8H,4,6H2,1-3H3;4,6,8,15H,3,5,7H2,1-2H3;8H,7H2,1-6H3;6H,1-5H3,(H,10,12);2-3H,1H3;5,7H,4H2,1-3H3/t15-;9-;3*8-;6-;;5-/m000000.0/s1
• InChIKey: IMZVLQDGWGSOAC-HKJPYIFTSA-N
• XLogP: 12.33
• TPSA: 514.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.08
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The IUPAC name of (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 158746991) is (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

What is the SMILES notation for (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The canonical SMILES for (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OC.CCN1c2ncc(C(=O)OC)cc2CC(=O)[C@@H]1C.CCN1c2ncc(CN3CC=C(c4ccc(Cl)cc4)CC3)cc2NC(=O)[C@@H]1C.CCN1c2ncc(CO)cc2CC(=O)[C@@H]1C.CCN[C@@H](C)C(=O)OC.CCOC(=O)[C@H](C)N(CC)c1ncc(C(=O)OC)cc1[N+](=O)[O-].COC(=O)[C@H](C)NC(=O)OC(C)(C)C.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.

What is the InChIKey of (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The InChIKey is IMZVLQDGWGSOAC-HKJPYIFTSA-N. The full InChI is InChI=1S/C22H25ClN4O.C14H19N3O6.C13H16N2O3.C12H16N2O2.C11H21NO4.C9H17NO4.C7H5ClN2O4.C6H13NO2/c1-3-27-15(2)22(28)25-20-12-16(13-24-21(20)27)14-26-10-8-18(9-11-26)17-4-6-19(23)7-5-17;1-5-16(9(3)13(18)23-6-2)12-11(17(20)21)7-10(8-15-12)14(19)22-4;1-4-15-8(2)11(16)6-9-5-10(13(17)18-3)7-14-12(9)15;1-3-14-8(2)11(16)5-10-4-9(7-15)6-13-12(10)14;1-7-12(8(2)9(13)15-6)10(14)16-11(3,4)5;1-6(7(11)13-5)10-8(12)14-9(2,3)4;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-4-7-5(2)6(8)9-3/h4-8,12-13,15H,3,9-11,14H2,1-2H3,(H,25,28);7-9H,5-6H2,1-4H3;5,7-8H,4,6H2,1-3H3;4,6,8,15H,3,5,7H2,1-2H3;8H,7H2,1-6H3;6H,1-5H3,(H,10,12);2-3H,1H3;5,7H,4H2,1-3H3/t15-;9-;3*8-;6-;;5-/m000000.0/s1.

What are the key properties of (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

(3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 1973.08 g/mol, XLogP of 12.33, 25 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;(2S)-1-ethyl-6-(hydroxymethyl)-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-ethylamino]-5-nitropyridine-3-carboxylate;methyl (2S)-2-(ethylamino)propanoate;methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate;methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 158746991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).