5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone

C153H178N34O18 — CID 159122220

About 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone

5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone (PubChem CID 159122220) has the molecular formula C153H178N34O18 and a molecular weight of 2781.33 g/mol. Its IUPAC name is 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone.

Molecular Properties

• Compound Name: 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone
• PubChem CID: 159122220
• Molecular Formula: C153H178N34O18
• Molecular Weight: 2781.33 g/mol
• Exact Mass: 2779.41
• IUPAC Name: 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone
• SMILES: CC(C)Nc1c(C(=O)O)cnc(-c2ccccc2)c1N.CCOC(=O)c1cnc(-c2ccccc2)c([N+](=O)[O-])c1NC(C)C.CNC1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4cccnc4)n(C(C)C)c23)C1.CNC1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4ccoc4)n(C(C)C)c23)C1.CNC1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4cnc[nH]4)n(C(C)C)c23)C1.CNc1c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)C2)cnc(-c2ccccc2)c1N.CNc1c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)C2)cnc(-c2ccccc2)c1[N+](=O)[O-]
• InChI: InChI=1S/C26H28N6O.C25H27N5O2.C24H27N7O.C23H29N5O5.C23H31N5O3.C17H19N3O4.C15H17N3O2/c1-17(2)32-24-21(26(33)31-13-11-20(16-31)27-3)15-29-22(18-8-5-4-6-9-18)23(24)30-25(32)19-10-7-12-28-14-19;1-16(2)30-23-20(25(31)29-11-9-19(14-29)26-3)13-27-21(17-7-5-4-6-8-17)22(23)28-24(30)18-10-12-32-15-18;1-15(2)31-22-18(24(32)30-10-9-17(13-30)25-3)11-27-20(16-7-5-4-6-8-16)21(22)29-23(31)19-12-26-14-28-19;1-23(2,3)33-22(30)26(5)16-11-12-27(14-16)21(29)17-13-25-18(15-9-7-6-8-10-15)20(28(31)32)19(17)24-4;1-23(2,3)31-22(30)27(5)16-11-12-28(14-16)21(29)17-13-26-19(18(24)20(17)25-4)15-9-7-6-8-10-15;1-4-24-17(21)13-10-18-14(12-8-6-5-7-9-12)16(20(22)23)15(13)19-11(2)3;1-9(2)18-14-11(15(19)20)8-17-13(12(14)16)10-6-4-3-5-7-10/h4-10,12,14-15,17,20,27H,11,13,16H2,1-3H3;4-8,10,12-13,15-16,19,26H,9,11,14H2,1-3H3;4-8,11-12,14-15,17,25H,9-10,13H2,1-3H3,(H,26,28);6-10,13,16H,11-12,14H2,1-5H3,(H,24,25);6-10,13,16H,11-12,14,24H2,1-5H3,(H,25,26);5-11H,4H2,1-3H3,(H,18,19);3-9H,16H2,1-2H3,(H,17,18)(H,19,20)
• InChIKey: KFVJRPAFUHTVBP-UHFFFAOYSA-N
• XLogP: 25.79
• TPSA: 645.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 34
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2781.33
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone?

The IUPAC name of 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone (CID 159122220) is 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone.

What is the SMILES notation for 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone?

The canonical SMILES for 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone is CC(C)Nc1c(C(=O)O)cnc(-c2ccccc2)c1N.CCOC(=O)c1cnc(-c2ccccc2)c([N+](=O)[O-])c1NC(C)C.CNC1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4cccnc4)n(C(C)C)c23)C1.CNC1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4ccoc4)n(C(C)C)c23)C1.CNC1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4cnc[nH]4)n(C(C)C)c23)C1.CNc1c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)C2)cnc(-c2ccccc2)c1N.CNc1c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)C2)cnc(-c2ccccc2)c1[N+](=O)[O-].

What is the InChIKey of 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone?

The InChIKey is KFVJRPAFUHTVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O.C25H27N5O2.C24H27N7O.C23H29N5O5.C23H31N5O3.C17H19N3O4.C15H17N3O2/c1-17(2)32-24-21(26(33)31-13-11-20(16-31)27-3)15-29-22(18-8-5-4-6-9-18)23(24)30-25(32)19-10-7-12-28-14-19;1-16(2)30-23-20(25(31)29-11-9-19(14-29)26-3)13-27-21(17-7-5-4-6-8-17)22(23)28-24(30)18-10-12-32-15-18;1-15(2)31-22-18(24(32)30-10-9-17(13-30)25-3)11-27-20(16-7-5-4-6-8-16)21(22)29-23(31)19-12-26-14-28-19;1-23(2,3)33-22(30)26(5)16-11-12-27(14-16)21(29)17-13-25-18(15-9-7-6-8-10-15)20(28(31)32)19(17)24-4;1-23(2,3)31-22(30)27(5)16-11-12-28(14-16)21(29)17-13-26-19(18(24)20(17)25-4)15-9-7-6-8-10-15;1-4-24-17(21)13-10-18-14(12-8-6-5-7-9-12)16(20(22)23)15(13)19-11(2)3;1-9(2)18-14-11(15(19)20)8-17-13(12(14)16)10-6-4-3-5-7-10/h4-10,12,14-15,17,20,27H,11,13,16H2,1-3H3;4-8,10,12-13,15-16,19,26H,9,11,14H2,1-3H3;4-8,11-12,14-15,17,25H,9-10,13H2,1-3H3,(H,26,28);6-10,13,16H,11-12,14H2,1-5H3,(H,24,25);6-10,13,16H,11-12,14,24H2,1-5H3,(H,25,26);5-11H,4H2,1-3H3,(H,18,19);3-9H,16H2,1-2H3,(H,17,18)(H,19,20).

What are the key properties of 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone?

5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone has a molecular weight of 2781.33 g/mol, XLogP of 25.79, 34 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylic acid;tert-butyl N-[1-[5-amino-4-(methylamino)-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-[4-(methylamino)-5-nitro-6-phenylpyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate;[2-(furan-3-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[2-(1H-imidazol-5-yl)-4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-7-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;[3-(methylamino)pyrrolidin-1-yl]-(4-phenyl-1-propan-2-yl-2-pyridin-3-ylimidazo[4,5-c]pyridin-7-yl)methanone is sourced from PubChem (CID 159122220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).