N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

C24H21N5O — CID 129186665

IUPACN-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESCC(C)(C#N)CNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1
InChIInChI=1S/C24H21N5O/c1-24(2,14-25)15-27-23(30)20-10-6-9-19(28-20)18-11-17-12-21(29-22(17)26-13-18)16-7-4-3-5-8-16/h3-13H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWCFYQDWRGJACPY-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.57
Rot. Bonds5

About N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 129186665) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
PubChem CID129186665
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESCC(C)(C#N)CNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1
InChIInChI=1S/C24H21N5O/c1-24(2,14-25)15-27-23(30)20-10-6-9-19(28-20)18-11-17-12-21(29-22(17)26-13-18)16-7-4-3-5-8-16/h3-13H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWCFYQDWRGJACPY-UHFFFAOYSA-N
XLogP4.57
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (CID 129186665) is N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is CC(C)(C#N)CNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1.
What is the InChIKey of N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The InChIKey is WCFYQDWRGJACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-24(2,14-25)15-27-23(30)20-10-6-9-19(28-20)18-11-17-12-21(29-22(17)26-13-18)16-7-4-3-5-8-16/h3-13H,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 129186665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).