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

C95H94BCl3N20O9 — CID 158277935

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

2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (PubChem CID 158277935) has the molecular formula C95H94BCl3N20O9 and a molecular weight of 1777.10 g/mol. Its IUPAC name is 2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
• PubChem CID: 158277935
• Molecular Formula: C95H94BCl3N20O9
• Molecular Weight: 1777.10 g/mol
• Exact Mass: 1774.67
• IUPAC Name: 2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
• SMILES: CCOC(=O)c1cc2cc(-c3cc(NC)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1C.CN.CNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.CNc1cc(-c2ccc3c(c2)cc(C(N)=O)n3C)nc2ccncc12.CNc1cc(Cl)nc2ccncc12.Clc1cc(Cl)c2cnccc2n1
• InChI: InChI=1S/C21H20N4O2.C19H17N5O.C19H16N4O2.C18H24BNO4.C9H8ClN3.C8H4Cl2N2.CH5N/c1-4-27-21(26)20-10-14-9-13(5-6-19(14)25(20)3)17-11-18(22-2)15-12-23-8-7-16(15)24-17;1-21-16-9-15(23-14-5-6-22-10-13(14)16)11-3-4-17-12(7-11)8-18(19(20)25)24(17)2;1-20-16-9-15(22-14-5-6-21-10-13(14)16)11-3-4-17-12(7-11)8-18(19(24)25)23(17)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;1-11-8-4-9(10)13-7-2-3-12-5-6(7)8;9-6-3-8(10)12-7-1-2-11-4-5(6)7;1-2/h5-12H,4H2,1-3H3,(H,22,24);3-10H,1-2H3,(H2,20,25)(H,21,23);3-10H,1-2H3,(H,20,22)(H,24,25);8-11H,7H2,1-6H3;2-5H,1H3,(H,11,13);1-4H;2H2,1H3
• InChIKey: GJVPTLOHWYTMMR-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 374.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1777.10
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

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-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?

The IUPAC name of 2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (CID 158277935) is 2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

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

The canonical SMILES for 2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is CCOC(=O)c1cc2cc(-c3cc(NC)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1C.CN.CNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.CNc1cc(-c2ccc3c(c2)cc(C(N)=O)n3C)nc2ccncc12.CNc1cc(Cl)nc2ccncc12.Clc1cc(Cl)c2cnccc2n1.

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

The InChIKey is GJVPTLOHWYTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.C19H17N5O.C19H16N4O2.C18H24BNO4.C9H8ClN3.C8H4Cl2N2.CH5N/c1-4-27-21(26)20-10-14-9-13(5-6-19(14)25(20)3)17-11-18(22-2)15-12-23-8-7-16(15)24-17;1-21-16-9-15(23-14-5-6-22-10-13(14)16)11-3-4-17-12(7-11)8-18(19(20)25)24(17)2;1-20-16-9-15(22-14-5-6-21-10-13(14)16)11-3-4-17-12(7-11)8-18(19(24)25)23(17)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;1-11-8-4-9(10)13-7-2-3-12-5-6(7)8;9-6-3-8(10)12-7-1-2-11-4-5(6)7;1-2/h5-12H,4H2,1-3H3,(H,22,24);3-10H,1-2H3,(H2,20,25)(H,21,23);3-10H,1-2H3,(H,20,22)(H,24,25);8-11H,7H2,1-6H3;2-5H,1H3,(H,11,13);1-4H;2H2,1H3.

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

2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid has a molecular weight of 1777.10 g/mol, XLogP of 17.95, 14 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is sourced from PubChem (CID 158277935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).