4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C18H18N4O2 — CID 129076574

IUPAC4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCC(C)C(=O)c1cc2cc(NC(=O)c3ccc(N)cc3)cnc2[nH]1
InChIInChI=1S/C18H18N4O2/c1-10(2)16(23)15-8-12-7-14(9-20-17(12)22-15)21-18(24)11-3-5-13(19)6-4-11/h3-10H,19H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyMGORKAQZHALGGT-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.24
Rot. Bonds4

About 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 129076574) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID129076574
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCC(C)C(=O)c1cc2cc(NC(=O)c3ccc(N)cc3)cnc2[nH]1
InChIInChI=1S/C18H18N4O2/c1-10(2)16(23)15-8-12-7-14(9-20-17(12)22-15)21-18(24)11-3-5-13(19)6-4-11/h3-10H,19H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyMGORKAQZHALGGT-UHFFFAOYSA-N
XLogP3.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]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

N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide
CID 163978628
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
methyl 5-[(5-amino-2-methylphenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 90258546
4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 174728645
4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide
CID 58408974
[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate
CID 160675096
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
5-[[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]benzenecarbothioyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 90269524
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-methyl-5-nitrobenzamide;ethane
CID 144657224

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 129076574) is 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is CC(C)C(=O)c1cc2cc(NC(=O)c3ccc(N)cc3)cnc2[nH]1.
What is the InChIKey of 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is MGORKAQZHALGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10(2)16(23)15-8-12-7-14(9-20-17(12)22-15)21-18(24)11-3-5-13(19)6-4-11/h3-10H,19H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 129076574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).