N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

C18H19N3O2 — CID 19703003

IUPACN-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1cnc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C18H19N3O2/c1-12(22)19-9-8-15-16-10-14(23-2)11-20-18(16)21-17(15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDXYPUTBSRFNDDU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 19703003) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
PubChem CID19703003
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1cnc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C18H19N3O2/c1-12(22)19-9-8-15-16-10-14(23-2)11-20-18(16)21-17(15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDXYPUTBSRFNDDU-UHFFFAOYSA-N
XLogP2.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (CID 19703003) is N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is COc1cnc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is DXYPUTBSRFNDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(22)19-9-8-15-16-10-14(23-2)11-20-18(16)21-17(15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 19703003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).