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

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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).