N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

C15H19N3O2 — CID 19703021

IUPACN-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESC=CCOc1cnc2c(c1)c(CCNC(C)=O)cn2C
InChIInChI=1S/C15H19N3O2/c1-4-7-20-13-8-14-12(5-6-16-11(2)19)10-18(3)15(14)17-9-13/h4,8-10H,1,5-7H2,2-3H3,(H,16,19)
InChIKeySBKGMRBYBNBGRG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 19703021) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
PubChem CID19703021
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESC=CCOc1cnc2c(c1)c(CCNC(C)=O)cn2C
InChIInChI=1S/C15H19N3O2/c1-4-7-20-13-8-14-12(5-6-16-11(2)19)10-18(3)15(14)17-9-13/h4,8-10H,1,5-7H2,2-3H3,(H,16,19)
InChIKeySBKGMRBYBNBGRG-UHFFFAOYSA-N
XLogP1.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (CID 19703021) is N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is C=CCOc1cnc2c(c1)c(CCNC(C)=O)cn2C.
What is the InChIKey of N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is SBKGMRBYBNBGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-7-20-13-8-14-12(5-6-16-11(2)19)10-18(3)15(14)17-9-13/h4,8-10H,1,5-7H2,2-3H3,(H,16,19).
What are the key properties of N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-5-prop-2-enoxypyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 19703021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).