15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide

C24H13N3O4 — CID 56634308

IUPAC15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide
SMILESNC(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(N)=O)c1c26)c53)C(=O)NC4=O
InChIInChI=1S/C24H13N3O4/c25-21(28)13-5-1-9-11-3-7-15-20-16(24(31)27-23(15)30)8-4-12(18(11)20)10-2-6-14(22(26)29)19(13)17(9)10/h1-8H,(H2,25,28)(H2,26,29)(H,27,30,31)
InChIKeyTVENALCELBOUJF-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.82
Rot. Bonds2

About 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide

15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide (PubChem CID 56634308) has the molecular formula C24H13N3O4 and a molecular weight of 407.39 g/mol. Its IUPAC name is 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide.

Molecular Properties

Compound Name15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide
PubChem CID56634308
Molecular FormulaC24H13N3O4
Molecular Weight407.39 g/mol
Exact Mass407.09
IUPAC Name15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide
SMILESNC(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(N)=O)c1c26)c53)C(=O)NC4=O
InChIInChI=1S/C24H13N3O4/c25-21(28)13-5-1-9-11-3-7-15-20-16(24(31)27-23(15)30)8-4-12(18(11)20)10-2-6-14(22(26)29)19(13)17(9)10/h1-8H,(H2,25,28)(H2,26,29)(H,27,30,31)
InChIKeyTVENALCELBOUJF-UHFFFAOYSA-N
XLogP2.82
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide?
The IUPAC name of 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide (CID 56634308) is 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide.
What is the SMILES notation for 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide?
The canonical SMILES for 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide is NC(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(N)=O)c1c26)c53)C(=O)NC4=O.
What is the InChIKey of 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide?
The InChIKey is TVENALCELBOUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13N3O4/c25-21(28)13-5-1-9-11-3-7-15-20-16(24(31)27-23(15)30)8-4-12(18(11)20)10-2-6-14(22(26)29)19(13)17(9)10/h1-8H,(H2,25,28)(H2,26,29)(H,27,30,31).
What are the key properties of 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide?
15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide has a molecular weight of 407.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide is sourced from PubChem (CID 56634308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).