2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate

C152H173N23O17 — CID 160582728

IUPAC2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(N(C)C)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(NN(C)C)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(NN)C1.CCOC(=O)N1CC(N)=Nc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2C1.CCOC(=O)N1Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(N)C12CC2
InChIInChI=1S/C28H34N4O2.C26H30N4O3.C26H29N3O3.C25H28N4O3.C24H26N4O3.C23H26N4O3/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32;1-4-33-26(32)22-16-21-15-20(11-12-23(21)27-24(17-22)28-29(2)3)18-7-9-19(10-8-18)25(31)30-13-5-6-14-30;1-4-32-26(31)22-16-21-15-20(11-12-23(21)27-24(17-22)28(2)3)18-7-9-19(10-8-18)25(30)29-13-5-6-14-29;1-2-32-24(31)29-16-20-15-19(9-10-21(20)27-23(26)25(29)11-12-25)17-5-7-18(8-6-17)22(30)28-13-3-4-14-28;1-2-31-24(30)20-14-19-13-18(9-10-21(19)26-22(15-20)27-25)16-5-7-17(8-6-16)23(29)28-11-3-4-12-28;1-2-30-23(29)27-14-19-13-18(9-10-20(19)25-21(24)15-27)16-5-7-17(8-6-16)22(28)26-11-3-4-12-26/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30);7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,27,28);7-12,15-16H,4-6,13-14,17H2,1-3H3;5-10,15H,2-4,11-14,16H2,1H3,(H2,26,27);5-10,13-14H,2-4,11-12,15,25H2,1H3,(H,26,27);5-10,13H,2-4,11-12,14-15H2,1H3,(H2,24,25)
InChIKeyRBZMHYBHQVVCAN-UHFFFAOYSA-N
MW2594.20 g/mol
LogP24.65
Rot. Bonds26

About 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate

2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate (PubChem CID 160582728) has the molecular formula C152H173N23O17 and a molecular weight of 2594.20 g/mol. Its IUPAC name is 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate.

Molecular Properties

Compound Name2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate
PubChem CID160582728
Molecular FormulaC152H173N23O17
Molecular Weight2594.20 g/mol
Exact Mass2592.34
IUPAC Name2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(N(C)C)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(NN(C)C)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(NN)C1.CCOC(=O)N1CC(N)=Nc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2C1.CCOC(=O)N1Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(N)C12CC2
InChIInChI=1S/C28H34N4O2.C26H30N4O3.C26H29N3O3.C25H28N4O3.C24H26N4O3.C23H26N4O3/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32;1-4-33-26(32)22-16-21-15-20(11-12-23(21)27-24(17-22)28-29(2)3)18-7-9-19(10-8-18)25(31)30-13-5-6-14-30;1-4-32-26(31)22-16-21-15-20(11-12-23(21)27-24(17-22)28(2)3)18-7-9-19(10-8-18)25(30)29-13-5-6-14-29;1-2-32-24(31)29-16-20-15-19(9-10-21(20)27-23(26)25(29)11-12-25)17-5-7-18(8-6-17)22(30)28-13-3-4-14-28;1-2-31-24(30)20-14-19-13-18(9-10-21(19)26-22(15-20)27-25)16-5-7-17(8-6-16)23(29)28-11-3-4-12-28;1-2-30-23(29)27-14-19-13-18(9-10-20(19)25-21(24)15-27)16-5-7-17(8-6-16)22(28)26-11-3-4-12-26/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30);7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,27,28);7-12,15-16H,4-6,13-14,17H2,1-3H3;5-10,15H,2-4,11-14,16H2,1H3,(H2,26,27);5-10,13-14H,2-4,11-12,15,25H2,1H3,(H,26,27);5-10,13H,2-4,11-12,14-15H2,1H3,(H2,24,25)
InChIKeyRBZMHYBHQVVCAN-UHFFFAOYSA-N
XLogP24.65
TPSA488.93 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002594.20
LogP ≤ 524.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate with MolForge

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Related Compounds

ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 1-oxo-8-[4-(pyrrolidine-1-carbonyl)phenyl]-2,4-dihydro-[1,2,4]triazolo[4,3-a][1]benzazepine-5-carboxylate;ethyl 8-[4-(pyrrolidine-1-carbonyl)phenyl]-2,4-dihydro-1H-imidazo[1,2-a][1]benzazepine-5-carboxylate;ethyl 8-[4-(pyrrolidine-1-carbonyl)phenyl]-4H-[1,2,4]triazolo[4,3-a][1]benzazepine-5-carboxylate
CID 158822776
2-amino-N-(3-hydroxypropyl)-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
CID 51033411
2-amino-N-[(2-hydroxyphenyl)methyl]-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
CID 51033965
2-cycloprop-2-en-1-ylethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate
CID 129074169
ethyl 2-amino-7-(pyridin-2-ylmethoxy)-3H-1-benzazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate
CID 157282870
2-amino-N-(3-hydroxypropyl)-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 161321208
2-amino-N-(3-hydroxy-2-methylpropyl)-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
CID 129058523
2-(aminodiazenyl)-N-(3-nitrosopropyl)-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
CID 129058540
2-amino-8-(2-ethyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 138463984
2-amino-8-[4-(3-hydroxy-4-phenylpyrrolidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 146531171
2-amino-N-(3-hydroxypropyl)-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N-propyl-3H-1-benzazepine-4-carboxamide
CID 51034409
2-amino-8-(4-hydroxyphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 51034180

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate?
The IUPAC name of 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate (CID 160582728) is 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate.
What is the SMILES notation for 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate?
The canonical SMILES for 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate is CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(N(C)C)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(NN(C)C)C1.CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(NN)C1.CCOC(=O)N1CC(N)=Nc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2C1.CCOC(=O)N1Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(N)C12CC2.
What is the InChIKey of 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate?
The InChIKey is RBZMHYBHQVVCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2.C26H30N4O3.C26H29N3O3.C25H28N4O3.C24H26N4O3.C23H26N4O3/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32;1-4-33-26(32)22-16-21-15-20(11-12-23(21)27-24(17-22)28-29(2)3)18-7-9-19(10-8-18)25(31)30-13-5-6-14-30;1-4-32-26(31)22-16-21-15-20(11-12-23(21)27-24(17-22)28(2)3)18-7-9-19(10-8-18)25(30)29-13-5-6-14-29;1-2-32-24(31)29-16-20-15-19(9-10-21(20)27-23(26)25(29)11-12-25)17-5-7-18(8-6-17)22(30)28-13-3-4-14-28;1-2-31-24(30)20-14-19-13-18(9-10-21(19)26-22(15-20)27-25)16-5-7-17(8-6-16)23(29)28-11-3-4-12-28;1-2-30-23(29)27-14-19-13-18(9-10-20(19)25-21(24)15-27)16-5-7-17(8-6-16)22(28)26-11-3-4-12-26/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30);7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,27,28);7-12,15-16H,4-6,13-14,17H2,1-3H3;5-10,15H,2-4,11-14,16H2,1H3,(H2,26,27);5-10,13-14H,2-4,11-12,15,25H2,1H3,(H,26,27);5-10,13H,2-4,11-12,14-15H2,1H3,(H2,24,25).
What are the key properties of 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate?
2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate has a molecular weight of 2594.20 g/mol, XLogP of 24.65, 26 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-1,4-benzodiazepine-4-carboxylate;ethyl 2-amino-7-[4-(pyrrolidine-1-carbonyl)phenyl]spiro[5H-1,4-benzodiazepine-3,1'-cyclopropane]-4-carboxylate;ethyl 2-(dimethylamino)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-(2,2-dimethylhydrazinyl)-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate;ethyl 2-hydrazinyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxylate is sourced from PubChem (CID 160582728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).