19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione

C23H24N4O3 — CID 10179362

IUPAC19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione
SMILESNCCCCC(N)C(=O)n1c2ccccc2c2c3c(c4c(c21)CCC4)C(=O)NC3=O
InChIInChI=1S/C23H24N4O3/c24-11-4-3-9-15(25)23(30)27-16-10-2-1-6-14(16)17-19-18(21(28)26-22(19)29)12-7-5-8-13(12)20(17)27/h1-2,6,10,15H,3-5,7-9,11,24-25H2,(H,26,28,29)
InChIKeyGVRJWIBVPBFAII-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.26
Rot. Bonds5

About 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione

19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione (PubChem CID 10179362) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione.

Molecular Properties

Compound Name19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione
PubChem CID10179362
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione
SMILESNCCCCC(N)C(=O)n1c2ccccc2c2c3c(c4c(c21)CCC4)C(=O)NC3=O
InChIInChI=1S/C23H24N4O3/c24-11-4-3-9-15(25)23(30)27-16-10-2-1-6-14(16)17-19-18(21(28)26-22(19)29)12-7-5-8-13(12)20(17)27/h1-2,6,10,15H,3-5,7-9,11,24-25H2,(H,26,28,29)
InChIKeyGVRJWIBVPBFAII-UHFFFAOYSA-N
XLogP2.26
TPSA120.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(2S)-2,6-diaminohexanoyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;hydrochloride
CID 72707163
16,17-dihydroxy-4,14,20-triazaheptacyclo[12.12.2.02,6.07,28.08,13.020,27.021,26]octacosa-1,6,8,10,12,21,23,25,27-nonaene-3,5-dione
CID 25070295
[(15S,16S,18R)-16-methoxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl]methyl 3-(2,6-diaminohexanoylamino)propanoate
CID 171346081
6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
CID 10126836
6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 52947984
6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
CID 90664576
(2S)-2,6-diamino-1-[(2R,3R)-2-methyl-3-phenylaziridin-1-yl]hexan-1-one
CID 177313207
9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
CID 24780250
benzyl 2,6-diaminohexanoate;hydrochloride
CID 67841130
amino (2S)-2,6-diaminohexanoate
CID 18651785
bis((2S)-2,6-diaminohexanoic acid);piperazine-2,3-dione
CID 158264898
cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid
CID 135385046

Frequently Asked Questions

What is the IUPAC name of 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione?
The IUPAC name of 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione (CID 10179362) is 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione.
What is the SMILES notation for 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione?
The canonical SMILES for 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione is NCCCCC(N)C(=O)n1c2ccccc2c2c3c(c4c(c21)CCC4)C(=O)NC3=O.
What is the InChIKey of 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione?
The InChIKey is GVRJWIBVPBFAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c24-11-4-3-9-15(25)23(30)27-16-10-2-1-6-14(16)17-19-18(21(28)26-22(19)29)12-7-5-8-13(12)20(17)27/h1-2,6,10,15H,3-5,7-9,11,24-25H2,(H,26,28,29).
What are the key properties of 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione?
19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione has a molecular weight of 404.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(2,6-diaminohexanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione is sourced from PubChem (CID 10179362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).