bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate

C196H229N35O19 — CID 159466897

About bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate

bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate (PubChem CID 159466897) has the molecular formula C196H229N35O19 and a molecular weight of 3379.21 g/mol. Its IUPAC name is bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate.

Molecular Properties

• Compound Name: bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate
• PubChem CID: 159466897
• Molecular Formula: C196H229N35O19
• Molecular Weight: 3379.21 g/mol
• Exact Mass: 3376.80
• IUPAC Name: bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate
• SMILES: CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)C(N)CCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)C(NC(=O)OCc3ccccc3)CCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)C(N)Cc4ccccc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)C(N)Cc4ccccc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)CC(N)c4ccccc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)Oc4ccccc4)c3)cc2N=C(N)C1
• InChI: InChI=1S/C35H40N6O4.3C34H40N6O3.C32H35N5O4.C27H34N6O2/c1-3-15-41(16-4-2)34(43)26-17-24-13-14-25(18-31(24)39-32(36)19-26)33(42)38-27-20-28-29(37-21-27)11-8-12-30(28)40-35(44)45-22-23-9-6-5-7-10-23;1-3-14-40(15-4-2)34(43)27-17-25-11-12-26(18-31(25)39-32(36)19-27)33(42)38-28-16-23(21-37-22-28)10-13-29(41)20-30(35)24-8-6-5-7-9-24;2*1-3-14-40(15-4-2)34(43)27-18-25-11-12-26(19-30(25)39-32(36)20-27)33(42)38-28-16-24(21-37-22-28)10-13-31(41)29(35)17-23-8-6-5-7-9-23;1-3-14-37(15-4-2)32(40)25-17-23-11-12-24(18-28(23)36-29(33)19-25)31(39)35-26-16-22(20-34-21-26)10-13-30(38)41-27-8-6-5-7-9-27;1-3-10-33(11-4-2)27(35)19-12-17-8-9-18(13-24(17)32-25(29)14-19)26(34)31-20-15-21-22(28)6-5-7-23(21)30-16-20/h5-7,9-10,13-14,17-18,20-21,30H,3-4,8,11-12,15-16,19,22H2,1-2H3,(H2,36,39)(H,38,42)(H,40,44);5-9,11-12,16-18,21-22,30H,3-4,10,13-15,19-20,35H2,1-2H3,(H2,36,39)(H,38,42);2*5-9,11-12,16,18-19,21-22,29H,3-4,10,13-15,17,20,35H2,1-2H3,(H2,36,39)(H,38,42);5-9,11-12,16-18,20-21H,3-4,10,13-15,19H2,1-2H3,(H2,33,36)(H,35,39);8-9,12-13,15-16,22H,3-7,10-11,14,28H2,1-2H3,(H2,29,32)(H,31,34)
• InChIKey: LVHLPSKTARUWDQ-UHFFFAOYSA-N
• XLogP: 30.46
• TPSA: 824.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 41
• Rotatable Bonds: 67
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3379.21
LogP ≤ 5	30.46
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate?

The IUPAC name of bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate (CID 159466897) is bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate.

What is the SMILES notation for bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate?

The canonical SMILES for bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate is CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)C(N)CCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)C(NC(=O)OCc3ccccc3)CCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)C(N)Cc4ccccc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)C(N)Cc4ccccc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)CC(N)c4ccccc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CCC(=O)Oc4ccccc4)c3)cc2N=C(N)C1.

What is the InChIKey of bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate?

The InChIKey is LVHLPSKTARUWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N6O4.3C34H40N6O3.C32H35N5O4.C27H34N6O2/c1-3-15-41(16-4-2)34(43)26-17-24-13-14-25(18-31(24)39-32(36)19-26)33(42)38-27-20-28-29(37-21-27)11-8-12-30(28)40-35(44)45-22-23-9-6-5-7-10-23;1-3-14-40(15-4-2)34(43)27-17-25-11-12-26(18-31(25)39-32(36)19-27)33(42)38-28-16-23(21-37-22-28)10-13-29(41)20-30(35)24-8-6-5-7-9-24;2*1-3-14-40(15-4-2)34(43)27-18-25-11-12-26(19-30(25)39-32(36)20-27)33(42)38-28-16-24(21-37-22-28)10-13-31(41)29(35)17-23-8-6-5-7-9-23;1-3-14-37(15-4-2)32(40)25-17-23-11-12-24(18-28(23)36-29(33)19-25)31(39)35-26-16-22(20-34-21-26)10-13-30(38)41-27-8-6-5-7-9-27;1-3-10-33(11-4-2)27(35)19-12-17-8-9-18(13-24(17)32-25(29)14-19)26(34)31-20-15-21-22(28)6-5-7-23(21)30-16-20/h5-7,9-10,13-14,17-18,20-21,30H,3-4,8,11-12,15-16,19,22H2,1-2H3,(H2,36,39)(H,38,42)(H,40,44);5-9,11-12,16-18,21-22,30H,3-4,10,13-15,19-20,35H2,1-2H3,(H2,36,39)(H,38,42);2*5-9,11-12,16,18-19,21-22,29H,3-4,10,13-15,17,20,35H2,1-2H3,(H2,36,39)(H,38,42);5-9,11-12,16-18,20-21H,3-4,10,13-15,19H2,1-2H3,(H2,33,36)(H,35,39);8-9,12-13,15-16,22H,3-7,10-11,14,28H2,1-2H3,(H2,29,32)(H,31,34).

What are the key properties of bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate?

bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate has a molecular weight of 3379.21 g/mol, XLogP of 30.46, 67 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-(5-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(5-amino-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-5,6,7,8-tetrahydroquinolin-5-yl]carbamate;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate is sourced from PubChem (CID 159466897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).