3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide

C9H8N4O — CID 169481908

IUPAC3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C9H8N4O/c10-8(14)2-1-6-3-7-9(11-4-6)13-5-12-7/h1-5H,(H2,10,14)(H,11,12,13)
InChIKeyDXIXHDLCVUUUCL-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.46
Rot. Bonds2

About 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide

3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide (PubChem CID 169481908) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide
PubChem CID169481908
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C9H8N4O/c10-8(14)2-1-6-3-7-9(11-4-6)13-5-12-7/h1-5H,(H2,10,14)(H,11,12,13)
InChIKeyDXIXHDLCVUUUCL-UHFFFAOYSA-N
XLogP0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide (CID 169481908) is 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide is NC(=O)C=Cc1cnc2nc[nH]c2c1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide?
The InChIKey is DXIXHDLCVUUUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-8(14)2-1-6-3-7-9(11-4-6)13-5-12-7/h1-5H,(H2,10,14)(H,11,12,13).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide?
3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide has a molecular weight of 188.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide is sourced from PubChem (CID 169481908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).