N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide

C25H21N7O — CID 146621414

IUPACN-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(N)c2)cc1Nc1nc(-c2cccnc2)nc2cc[nH]c12
InChIInChI=1S/C25H21N7O/c1-15-7-8-16(25(33)29-19-6-2-5-18(26)13-19)12-21(15)31-24-22-20(9-11-28-22)30-23(32-24)17-4-3-10-27-14-17/h2-14,28H,26H2,1H3,(H,29,33)(H,30,31,32)
InChIKeyFPKFFYRWULOLAE-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.91
Rot. Bonds5

About N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide

N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 146621414) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide
PubChem CID146621414
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC NameN-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(N)c2)cc1Nc1nc(-c2cccnc2)nc2cc[nH]c12
InChIInChI=1S/C25H21N7O/c1-15-7-8-16(25(33)29-19-6-2-5-18(26)13-19)12-21(15)31-24-22-20(9-11-28-22)30-23(32-24)17-4-3-10-27-14-17/h2-14,28H,26H2,1H3,(H,29,33)(H,30,31,32)
InChIKeyFPKFFYRWULOLAE-UHFFFAOYSA-N
XLogP4.91
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]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

4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 164973560
3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide
CID 164995255
4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
CID 23536120
3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146621834
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
N-[4-methyl-3-[(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 138319688
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
2-(3-chlorophenyl)-N-(2,5-dimethylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 146654884
N-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 16747334
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 69227970
4-chlorobenzoyl chloride;4-chloro-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;methane;4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 159152578
4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 146621892

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide (CID 146621414) is N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide is Cc1ccc(C(=O)Nc2cccc(N)c2)cc1Nc1nc(-c2cccnc2)nc2cc[nH]c12.
What is the InChIKey of N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is FPKFFYRWULOLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-15-7-8-16(25(33)29-19-6-2-5-18(26)13-19)12-21(15)31-24-22-20(9-11-28-22)30-23(32-24)17-4-3-10-27-14-17/h2-14,28H,26H2,1H3,(H,29,33)(H,30,31,32).
What are the key properties of N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide?
N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 435.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 146621414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).