13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide

C20H10N2O4 — CID 137476938

IUPAC13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide
SMILESCc1c(C(=O)N=O)c2cccc3c4c(=O)[nH]c(=O)c4c4cccc1c4c23
InChIInChI=1S/C20H10N2O4/c1-8-9-4-2-6-11-14(9)15-10(13(8)20(25)22-26)5-3-7-12(15)17-16(11)18(23)21-19(17)24/h2-7H,1H3,(H,21,23,24)
InChIKeyGBNRKAFYIBNANK-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.44
Rot. Bonds1

About 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide

13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide (PubChem CID 137476938) has the molecular formula C20H10N2O4 and a molecular weight of 342.31 g/mol. Its IUPAC name is 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide.

Molecular Properties

Compound Name13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide
PubChem CID137476938
Molecular FormulaC20H10N2O4
Molecular Weight342.31 g/mol
Exact Mass342.06
IUPAC Name13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide
SMILESCc1c(C(=O)N=O)c2cccc3c4c(=O)[nH]c(=O)c4c4cccc1c4c23
InChIInChI=1S/C20H10N2O4/c1-8-9-4-2-6-11-14(9)15-10(13(8)20(25)22-26)5-3-7-12(15)17-16(11)18(23)21-19(17)24/h2-7H,1H3,(H,21,23,24)
InChIKeyGBNRKAFYIBNANK-UHFFFAOYSA-N
XLogP3.44
TPSA96.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide?
The IUPAC name of 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide (CID 137476938) is 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide.
What is the SMILES notation for 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide?
The canonical SMILES for 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide is Cc1c(C(=O)N=O)c2cccc3c4c(=O)[nH]c(=O)c4c4cccc1c4c23.
What is the InChIKey of 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide?
The InChIKey is GBNRKAFYIBNANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2O4/c1-8-9-4-2-6-11-14(9)15-10(13(8)20(25)22-26)5-3-7-12(15)17-16(11)18(23)21-19(17)24/h2-7H,1H3,(H,21,23,24).
What are the key properties of 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide?
13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide has a molecular weight of 342.31 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide is sourced from PubChem (CID 137476938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).