N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide

C25H19N5O2 — CID 144681567

IUPACN-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1coc2cc(NC)c(-c3ccc4ncn5c6ccccc6cc5c4n3)cc12
InChIInChI=1S/C25H19N5O2/c1-26-20-11-23-15(17(12-32-23)25(31)27-2)10-16(20)18-7-8-19-24(29-18)22-9-14-5-3-4-6-21(14)30(22)13-28-19/h3-13,26H,1-2H3,(H,27,31)
InChIKeyDTWDAXKKXRYMPQ-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.85
Rot. Bonds3

About N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide

N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide (PubChem CID 144681567) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide
PubChem CID144681567
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1coc2cc(NC)c(-c3ccc4ncn5c6ccccc6cc5c4n3)cc12
InChIInChI=1S/C25H19N5O2/c1-26-20-11-23-15(17(12-32-23)25(31)27-2)10-16(20)18-7-8-19-24(29-18)22-9-14-5-3-4-6-21(14)30(22)13-28-19/h3-13,26H,1-2H3,(H,27,31)
InChIKeyDTWDAXKKXRYMPQ-UHFFFAOYSA-N
XLogP4.85
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide (CID 144681567) is N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1coc2cc(NC)c(-c3ccc4ncn5c6ccccc6cc5c4n3)cc12.
What is the InChIKey of N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide?
The InChIKey is DTWDAXKKXRYMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-26-20-11-23-15(17(12-32-23)25(31)27-2)10-16(20)18-7-8-19-24(29-18)22-9-14-5-3-4-6-21(14)30(22)13-28-19/h3-13,26H,1-2H3,(H,27,31).
What are the key properties of N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide?
N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylamino)-5-(3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-4-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 144681567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).