2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine

C₁₁₂H₁₂₉BCl₃N₂₃O₉ — CID 158466774

About 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine

2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine (PubChem CID 158466774) has the molecular formula C₁₁₂H₁₂₉BCl₃N₂₃O₉ and a molecular weight of 2058.59 g/mol. Its IUPAC name is 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine
• PubChem CID: 158466774
• Molecular Formula: C₁₁₂H₁₂₉BCl₃N₂₃O₉
• Molecular Weight: 2058.59 g/mol
• Exact Mass: 2055.95
• IUPAC Name: 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine
• SMILES: CCN.CCNc1cc(-c2ccc3c(c2)cc(C(=O)NC2CCN(C)CC2)n3C)nc2ccncc12.CCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.CCNc1cc(-c2ccc3c(c2)cc(C(=O)OCC)n3C)nc2ccncc12.CCNc1cc(Cl)nc2ccncc12.CCOC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1C.CN1CCC(N)CC1.Clc1cc(Cl)c2cnccc2n1
• InChI: InChI=1S/C26H30N6O.C22H22N4O2.C20H18N4O2.C18H24BNO4.C10H10ClN3.C8H4Cl2N2.C6H14N2.C2H7N/c1-4-28-23-15-22(30-21-7-10-27-16-20(21)23)17-5-6-24-18(13-17)14-25(32(24)3)26(33)29-19-8-11-31(2)12-9-19;1-4-24-19-12-18(25-17-8-9-23-13-16(17)19)14-6-7-20-15(10-14)11-21(26(20)3)22(27)28-5-2;1-3-22-17-10-16(23-15-6-7-21-11-14(15)17)12-4-5-18-13(8-12)9-19(20(25)26)24(18)2;1-7-22-16(21)15-11-12-10-13(8-9-14(12)20(15)6)19-23-17(2,3)18(4,5)24-19;1-2-13-9-5-10(11)14-8-3-4-12-6-7(8)9;9-6-3-8(10)12-7-1-2-11-4-5(6)7;1-8-4-2-6(7)3-5-8;1-2-3/h5-7,10,13-16,19H,4,8-9,11-12H2,1-3H3,(H,28,30)(H,29,33);6-13H,4-5H2,1-3H3,(H,24,25);4-11H,3H2,1-2H3,(H,22,23)(H,25,26);8-11H,7H2,1-6H3;3-6H,2H2,1H3,(H,13,14);1-4H;6H,2-5,7H2,1H3;2-3H2,1H3
• InChIKey: HFVSKKUSIRGIOI-UHFFFAOYSA-N
• XLogP: 20.67
• TPSA: 392.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.59
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine?

The IUPAC name of 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine (CID 158466774) is 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine.

What is the SMILES notation for 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine?

The canonical SMILES for 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine is CCN.CCNc1cc(-c2ccc3c(c2)cc(C(=O)NC2CCN(C)CC2)n3C)nc2ccncc12.CCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.CCNc1cc(-c2ccc3c(c2)cc(C(=O)OCC)n3C)nc2ccncc12.CCNc1cc(Cl)nc2ccncc12.CCOC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1C.CN1CCC(N)CC1.Clc1cc(Cl)c2cnccc2n1.

What is the InChIKey of 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine?

The InChIKey is HFVSKKUSIRGIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O.C22H22N4O2.C20H18N4O2.C18H24BNO4.C10H10ClN3.C8H4Cl2N2.C6H14N2.C2H7N/c1-4-28-23-15-22(30-21-7-10-27-16-20(21)23)17-5-6-24-18(13-17)14-25(32(24)3)26(33)29-19-8-11-31(2)12-9-19;1-4-24-19-12-18(25-17-8-9-23-13-16(17)19)14-6-7-20-15(10-14)11-21(26(20)3)22(27)28-5-2;1-3-22-17-10-16(23-15-6-7-21-11-14(15)17)12-4-5-18-13(8-12)9-19(20(25)26)24(18)2;1-7-22-16(21)15-11-12-10-13(8-9-14(12)20(15)6)19-23-17(2,3)18(4,5)24-19;1-2-13-9-5-10(11)14-8-3-4-12-6-7(8)9;9-6-3-8(10)12-7-1-2-11-4-5(6)7;1-8-4-2-6(7)3-5-8;1-2-3/h5-7,10,13-16,19H,4,8-9,11-12H2,1-3H3,(H,28,30)(H,29,33);6-13H,4-5H2,1-3H3,(H,24,25);4-11H,3H2,1-2H3,(H,22,23)(H,25,26);8-11H,7H2,1-6H3;3-6H,2H2,1H3,(H,13,14);1-4H;6H,2-5,7H2,1H3;2-3H2,1H3.

What are the key properties of 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine?

2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine has a molecular weight of 2058.59 g/mol, XLogP of 20.67, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine is sourced from PubChem (CID 158466774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158466774 — identifiers, structure, computed properties (public domain)

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