N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide

C16H13N3O2 — CID 86300420

IUPACN-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)
InChIKeyYDVJLFLSMZJGFQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.37
Rot. Bonds3

About N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide

N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide (PubChem CID 86300420) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
PubChem CID86300420
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)
InChIKeyYDVJLFLSMZJGFQ-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide (CID 86300420) is N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cnc3c(c2)CC(=O)N3)c1.
What is the InChIKey of N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide?
The InChIKey is YDVJLFLSMZJGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21).
What are the key properties of N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide?
N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide has a molecular weight of 279.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 86300420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).