N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide

C15H10N4O — CID 86302098

IUPACN-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide
SMILESC#CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)n1
InChIInChI=1S/C15H10N4O/c1-2-14(20)19-13-5-3-4-12(18-13)11-8-10-6-7-16-15(10)17-9-11/h1,3-9H,(H,16,17)(H,18,19,20)
InChIKeyYVMSMMXWFIRZCX-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.20
Rot. Bonds2

About N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide

N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide (PubChem CID 86302098) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide
PubChem CID86302098
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC NameN-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide
SMILESC#CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)n1
InChIInChI=1S/C15H10N4O/c1-2-14(20)19-13-5-3-4-12(18-13)11-8-10-6-7-16-15(10)17-9-11/h1,3-9H,(H,16,17)(H,18,19,20)
InChIKeyYVMSMMXWFIRZCX-UHFFFAOYSA-N
XLogP2.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide?
The IUPAC name of N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide (CID 86302098) is N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide.
What is the SMILES notation for N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide?
The canonical SMILES for N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide is C#CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)n1.
What is the InChIKey of N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide?
The InChIKey is YVMSMMXWFIRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c1-2-14(20)19-13-5-3-4-12(18-13)11-8-10-6-7-16-15(10)17-9-11/h1,3-9H,(H,16,17)(H,18,19,20).
What are the key properties of N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide?
N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide has a molecular weight of 262.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide is sourced from PubChem (CID 86302098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).