5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C17H12N4O2 — CID 59753639

IUPAC5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESN#Cc1cc2cc(C(=O)NCC(=O)c3ccccc3)[nH]c2cn1
InChIInChI=1S/C17H12N4O2/c18-8-13-6-12-7-14(21-15(12)9-19-13)17(23)20-10-16(22)11-4-2-1-3-5-11/h1-7,9,21H,10H2,(H,20,23)
InChIKeyIYTGBYVTSFXLPO-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.05
Rot. Bonds4

About 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 59753639) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID59753639
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESN#Cc1cc2cc(C(=O)NCC(=O)c3ccccc3)[nH]c2cn1
InChIInChI=1S/C17H12N4O2/c18-8-13-6-12-7-14(21-15(12)9-19-13)17(23)20-10-16(22)11-4-2-1-3-5-11/h1-7,9,21H,10H2,(H,20,23)
InChIKeyIYTGBYVTSFXLPO-UHFFFAOYSA-N
XLogP2.05
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 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

FG-7142
CID 4375
2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
N-Benzyl-1H-indole-2-carboxamide
CID 8023988
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
N-Ethyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 41500
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 12627221
1-(9H-beta-Carbolin-3-yl)ethan-1-one
CID 12789146
Indole-based 6-membered lactam, 2
CID 15604675
indole-based 6-membered lactam, (R)-4a
CID 15604844

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 59753639) is 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is N#Cc1cc2cc(C(=O)NCC(=O)c3ccccc3)[nH]c2cn1.
What is the InChIKey of 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IYTGBYVTSFXLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-8-13-6-12-7-14(21-15(12)9-19-13)17(23)20-10-16(22)11-4-2-1-3-5-11/h1-7,9,21H,10H2,(H,20,23).
What are the key properties of 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 59753639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).