N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide

C20H16N4O2 — CID 52949618

IUPACN-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
SMILESCn1ccc2ncnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c21
InChIInChI=1S/C20H16N4O2/c1-24-12-11-17-18(24)20(22-13-21-17)26-16-9-7-15(8-10-16)23-19(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25)
InChIKeyNSQYNEMRLNGHTF-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.01
Rot. Bonds4

About N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide

N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 52949618) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID52949618
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
SMILESCn1ccc2ncnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c21
InChIInChI=1S/C20H16N4O2/c1-24-12-11-17-18(24)20(22-13-21-17)26-16-9-7-15(8-10-16)23-19(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25)
InChIKeyNSQYNEMRLNGHTF-UHFFFAOYSA-N
XLogP4.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide 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

Amg 579
CID 59351313
Gsk-269962A
CID 16095342
1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-yl)benzamide
CID 16099846
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[(dimethylamino)methyl]benzamide
CID 16099847
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(dimethylamino)ethoxy]benzamide
CID 16099848
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(aminomethyl)benzamide
CID 16099860
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 16099861
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)oxy)phenyl)-4-(dimethylamino)benzamide
CID 16099859
4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide (CID 52949618) is N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide is Cn1ccc2ncnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c21.
What is the InChIKey of N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is NSQYNEMRLNGHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-12-11-17-18(24)20(22-13-21-17)26-16-9-7-15(8-10-16)23-19(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25).
What are the key properties of N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 52949618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).