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

C23H17N5O — CID 129198623

IUPACN-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)CC1
InChIInChI=1S/C23H17N5O/c24-14-23(9-10-23)28-22(29)19-8-4-7-18(26-19)17-11-16-12-20(27-21(16)25-13-17)15-5-2-1-3-6-15/h1-8,11-13H,9-10H2,(H,25,27)(H,28,29)
InChIKeyPHJJWMNHYPTNID-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.08
Rot. Bonds4

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

N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 129198623) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
PubChem CID129198623
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC NameN-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)CC1
InChIInChI=1S/C23H17N5O/c24-14-23(9-10-23)28-22(29)19-8-4-7-18(26-19)17-11-16-12-20(27-21(16)25-13-17)15-5-2-1-3-6-15/h1-8,11-13H,9-10H2,(H,25,27)(H,28,29)
InChIKeyPHJJWMNHYPTNID-UHFFFAOYSA-N
XLogP4.08
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (CID 129198623) is N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is N#CC1(NC(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The InChIKey is PHJJWMNHYPTNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c24-14-23(9-10-23)28-22(29)19-8-4-7-18(26-19)17-11-16-12-20(27-21(16)25-13-17)15-5-2-1-3-6-15/h1-8,11-13H,9-10H2,(H,25,27)(H,28,29).
What are the key properties of N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 129198623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).