3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide

C15H10N4O — CID 91361006

IUPAC3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
SMILESN#Cc1cnc2[nH]cc(-c3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C15H10N4O/c16-6-9-4-12-13(8-19-15(12)18-7-9)10-2-1-3-11(5-10)14(17)20/h1-5,7-8H,(H2,17,20)(H,18,19)
InChIKeyWYDJOXNGAQWACL-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.20
Rot. Bonds2

About 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide

3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide (PubChem CID 91361006) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
PubChem CID91361006
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
SMILESN#Cc1cnc2[nH]cc(-c3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C15H10N4O/c16-6-9-4-12-13(8-19-15(12)18-7-9)10-2-1-3-11(5-10)14(17)20/h1-5,7-8H,(H2,17,20)(H,18,19)
InChIKeyWYDJOXNGAQWACL-UHFFFAOYSA-N
XLogP2.20
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-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

Y-39983
CID 11507964
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
Btk-IN-15
CID 164887528
2,4-Diamino-6-(3-Formylphenyl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 118708722
2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 162393548
N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
CID 155289261
Rsk2-IN-2
CID 78341193
N-[3-cyano-5-[5-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide
CID 162645288
3-[3-[3-cyano-5-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopropylbenzamide
CID 162657818
3-[3-[3-cyano-5-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
CID 162660333
N-[3-cyano-5-[5-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide
CID 162670242
N-[3-cyano-5-[5-[3-(4-methylpiperazine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide
CID 162671071

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide?
The IUPAC name of 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide (CID 91361006) is 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide?
The canonical SMILES for 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide is N#Cc1cnc2[nH]cc(-c3cccc(C(N)=O)c3)c2c1.
What is the InChIKey of 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide?
The InChIKey is WYDJOXNGAQWACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c16-6-9-4-12-13(8-19-15(12)18-7-9)10-2-1-3-11(5-10)14(17)20/h1-5,7-8H,(H2,17,20)(H,18,19).
What are the key properties of 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide?
3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide has a molecular weight of 262.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 91361006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).