4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid

C133H157BCl8MnN22O23 — CID 157156354

About 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid

4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid (PubChem CID 157156354) has the molecular formula C133H157BCl8MnN22O23 and a molecular weight of 2781.22 g/mol. Its IUPAC name is 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid.

Molecular Properties

• Compound Name: 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid
• PubChem CID: 157156354
• Molecular Formula: C133H157BCl8MnN22O23
• Molecular Weight: 2781.22 g/mol
• Exact Mass: 2775.88
• IUPAC Name: 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid
• SMILES: CC(C)c1cc2cnc(Cl)cc2[nH]c1=O.CC(C)c1cc2cnc(Cl)cc2n(-c2ccccc2)c1=O.CCN(CC)CCOc1ccc(N)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3-c2ccccc2)nc1.CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1N.CCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC.COC(=O)CC(C)C.COc1ccc(CN)c(OC)c1.Nc1cc(Cl)ncc1C=O.Nc1cc(Cl)ncc1CO.O=[Mn]=O.OB(O)c1ccccc1
• InChI: InChI=1S/C28H33N5O2.C17H19ClN2O4.C17H15ClN2O.C11H11ClN2O.C11H19N3O.C9H13NO2.C8H7Cl2NO2.C8H9ClN2O2.C6H7BO2.C6H7ClN2O.C6H5ClN2O.C6H12O2.Mn.2O/c1-5-32(6-2)14-15-35-23-12-13-26(30-19-23)31-27-17-25-21(18-29-27)16-24(20(3)4)28(34)33(25)22-10-8-7-9-11-22;1-4-24-17(21)13-10-20-16(18)8-14(13)19-9-11-5-6-12(22-2)7-15(11)23-3;1-11(2)14-8-12-10-19-16(18)9-15(12)20(17(14)21)13-6-4-3-5-7-13;1-6(2)8-3-7-5-13-10(12)4-9(7)14-11(8)15;1-3-14(4-2)7-8-15-10-5-6-11(12)13-9-10;1-11-8-4-3-7(6-10)9(5-8)12-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-2-13-8(12)5-4-11-7(9)3-6(5)10;8-7(9)6-4-2-1-3-5-6;2*7-6-1-5(8)4(3-10)2-9-6;1-5(2)4-6(7)8-3;;;/h7-13,16-20H,5-6,14-15H2,1-4H3,(H,29,30,31);5-8,10H,4,9H2,1-3H3,(H,19,20);3-11H,1-2H3;3-6H,1-2H3,(H,14,15);5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13);3-5H,6,10H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,10,11);1-5,8-9H;1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);5H,4H2,1-3H3
• InChIKey: XWUKSXXPESIVLE-UHFFFAOYSA-N
• XLogP: 24.65
• TPSA: 638.88 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 38
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2781.22
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid?

The IUPAC name of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid (CID 157156354) is 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid.

What is the SMILES notation for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid?

The canonical SMILES for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid is CC(C)c1cc2cnc(Cl)cc2[nH]c1=O.CC(C)c1cc2cnc(Cl)cc2n(-c2ccccc2)c1=O.CCN(CC)CCOc1ccc(N)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3-c2ccccc2)nc1.CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1N.CCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC.COC(=O)CC(C)C.COc1ccc(CN)c(OC)c1.Nc1cc(Cl)ncc1C=O.Nc1cc(Cl)ncc1CO.O=[Mn]=O.OB(O)c1ccccc1.

What is the InChIKey of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid?

The InChIKey is XWUKSXXPESIVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2.C17H19ClN2O4.C17H15ClN2O.C11H11ClN2O.C11H19N3O.C9H13NO2.C8H7Cl2NO2.C8H9ClN2O2.C6H7BO2.C6H7ClN2O.C6H5ClN2O.C6H12O2.Mn.2O/c1-5-32(6-2)14-15-35-23-12-13-26(30-19-23)31-27-17-25-21(18-29-27)16-24(20(3)4)28(34)33(25)22-10-8-7-9-11-22;1-4-24-17(21)13-10-20-16(18)8-14(13)19-9-11-5-6-12(22-2)7-15(11)23-3;1-11(2)14-8-12-10-19-16(18)9-15(12)20(17(14)21)13-6-4-3-5-7-13;1-6(2)8-3-7-5-13-10(12)4-9(7)14-11(8)15;1-3-14(4-2)7-8-15-10-5-6-11(12)13-9-10;1-11-8-4-3-7(6-10)9(5-8)12-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-2-13-8(12)5-4-11-7(9)3-6(5)10;8-7(9)6-4-2-1-3-5-6;2*7-6-1-5(8)4(3-10)2-9-6;1-5(2)4-6(7)8-3;;;/h7-13,16-20H,5-6,14-15H2,1-4H3,(H,29,30,31);5-8,10H,4,9H2,1-3H3,(H,19,20);3-11H,1-2H3;3-6H,1-2H3,(H,14,15);5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13);3-5H,6,10H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,10,11);1-5,8-9H;1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);5H,4H2,1-3H3;;;.

What are the key properties of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid?

4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid has a molecular weight of 2781.22 g/mol, XLogP of 24.65, 38 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid is sourced from PubChem (CID 157156354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).