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

C22H17N5O — CID 129186689

IUPACN-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESN#CCCNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1
InChIInChI=1S/C22H17N5O/c23-10-5-11-24-22(28)19-9-4-8-18(26-19)17-12-16-13-20(27-21(16)25-14-17)15-6-2-1-3-7-15/h1-4,6-9,12-14H,5,11H2,(H,24,28)(H,25,27)
InChIKeyIGLRKKGBPICHNY-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.94
Rot. Bonds5

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

N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 129186689) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
PubChem CID129186689
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESN#CCCNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1
InChIInChI=1S/C22H17N5O/c23-10-5-11-24-22(28)19-9-4-8-18(26-19)17-12-16-13-20(27-21(16)25-14-17)15-6-2-1-3-7-15/h1-4,6-9,12-14H,5,11H2,(H,24,28)(H,25,27)
InChIKeyIGLRKKGBPICHNY-UHFFFAOYSA-N
XLogP3.94
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (CID 129186689) is N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is N#CCCNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1.
What is the InChIKey of N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The InChIKey is IGLRKKGBPICHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-10-5-11-24-22(28)19-9-4-8-18(26-19)17-12-16-13-20(27-21(16)25-14-17)15-6-2-1-3-7-15/h1-4,6-9,12-14H,5,11H2,(H,24,28)(H,25,27).
What are the key properties of N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 129186689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).