2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide

C16H16N4O — CID 135061172

IUPAC2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESCCn1ccc2c(NC(=O)c3ccccc3N)ccnc21
InChIInChI=1S/C16H16N4O/c1-2-20-10-8-12-14(7-9-18-15(12)20)19-16(21)11-5-3-4-6-13(11)17/h3-10H,2,17H2,1H3,(H,18,19,21)
InChIKeyDIJUGGFHKFQQPE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds3

About 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide

2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 135061172) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID135061172
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESCCn1ccc2c(NC(=O)c3ccccc3N)ccnc21
InChIInChI=1S/C16H16N4O/c1-2-20-10-8-12-14(7-9-18-15(12)20)19-16(21)11-5-3-4-6-13(11)17/h3-10H,2,17H2,1H3,(H,18,19,21)
InChIKeyDIJUGGFHKFQQPE-UHFFFAOYSA-N
XLogP2.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-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

2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 139945913
methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate
CID 135062128
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
2-amino-N-anthracen-1-ylbenzamide
CID 175805968
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
CID 5247000
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
2-amino-N-(2H-benzotriazol-4-yl)benzamide
CID 110474353

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 135061172) is 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide is CCn1ccc2c(NC(=O)c3ccccc3N)ccnc21.
What is the InChIKey of 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is DIJUGGFHKFQQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-20-10-8-12-14(7-9-18-15(12)20)19-16(21)11-5-3-4-6-13(11)17/h3-10H,2,17H2,1H3,(H,18,19,21).
What are the key properties of 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide?
2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 135061172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).