N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide

C12H13N3O — CID 169465580

IUPACN-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C12H13N3O/c1-9(16)13-5-2-3-10-7-11-4-6-14-12(11)15-8-10/h2-4,6-8H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyGQWSMRMFUGNHEQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.71
Rot. Bonds3

About N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide

N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide (PubChem CID 169465580) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
PubChem CID169465580
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C12H13N3O/c1-9(16)13-5-2-3-10-7-11-4-6-14-12(11)15-8-10/h2-4,6-8H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyGQWSMRMFUGNHEQ-UHFFFAOYSA-N
XLogP1.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169467631
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
CID 169453432
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
ethyl (E)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
CID 175662950
(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine
CID 22714596
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521
5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 89409031
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(3-oxo-2H-isoquinolin-6-yl)prop-2-enyl]acetamide
CID 169466218
N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide
CID 169466219
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
N-[3-(5-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464931

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide (CID 169465580) is N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cnc2[nH]ccc2c1.
What is the InChIKey of N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide?
The InChIKey is GQWSMRMFUGNHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(16)13-5-2-3-10-7-11-4-6-14-12(11)15-8-10/h2-4,6-8H,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide?
N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).