6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

C23H22N6O4 — CID 59224752

IUPAC6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc(Nc4cccc(NC(=O)CN)c4)n3)ccc12
InChIInChI=1S/C23H22N6O4/c1-13-21(22(31)25-2)17-7-6-16(11-18(17)32-13)33-20-8-9-26-23(29-20)28-15-5-3-4-14(10-15)27-19(30)12-24/h3-11H,12,24H2,1-2H3,(H,25,31)(H,27,30)(H,26,28,29)
InChIKeyFOUCDOQZKOJWSP-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.32
Rot. Bonds7

About 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 59224752) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID59224752
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc(Nc4cccc(NC(=O)CN)c4)n3)ccc12
InChIInChI=1S/C23H22N6O4/c1-13-21(22(31)25-2)17-7-6-16(11-18(17)32-13)33-20-8-9-26-23(29-20)28-15-5-3-4-14(10-15)27-19(30)12-24/h3-11H,12,24H2,1-2H3,(H,25,31)(H,27,30)(H,26,28,29)
InChIKeyFOUCDOQZKOJWSP-UHFFFAOYSA-N
XLogP3.32
TPSA144.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-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

Related Compounds

N,2-dimethyl-6-[2-[3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]anilino]pyrimidin-4-yl]oxy-1-benzofuran-3-carboxamide
CID 46182029
6-[2-[3-[2-(dimethylamino)butanoylamino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 68551387
N-methyl-4-[[3-[[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxamide
CID 46182417
6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114801
2-amino-N-[4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]acetamide
CID 146290688
N,2-dimethyl-6-[2-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]pyrimidin-4-yl]oxy-1-benzofuran-3-carboxamide
CID 68553571
6-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
6-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
CID 122377977
N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115018
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide
CID 68989992
6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide
CID 24762799

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 59224752) is 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc(Nc4cccc(NC(=O)CN)c4)n3)ccc12.
What is the InChIKey of 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is FOUCDOQZKOJWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-13-21(22(31)25-2)17-7-6-16(11-18(17)32-13)33-20-8-9-26-23(29-20)28-15-5-3-4-14(10-15)27-19(30)12-24/h3-11H,12,24H2,1-2H3,(H,25,31)(H,27,30)(H,26,28,29).
What are the key properties of 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59224752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).