N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide

C13H15N3O — CID 170488809

IUPACN-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide
SMILESCC(=O)NCCC=Cc1cnc2ccccn12
InChIInChI=1S/C13H15N3O/c1-11(17)14-8-4-2-6-12-10-15-13-7-3-5-9-16(12)13/h2-3,5-7,9-10H,4,8H2,1H3,(H,14,17)
InChIKeyCNCVRJKRZJGKQE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.87
Rot. Bonds4

About N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide

N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide (PubChem CID 170488809) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide
PubChem CID170488809
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide
SMILESCC(=O)NCCC=Cc1cnc2ccccn12
InChIInChI=1S/C13H15N3O/c1-11(17)14-8-4-2-6-12-10-15-13-7-3-5-9-16(12)13/h2-3,5-7,9-10H,4,8H2,1H3,(H,14,17)
InChIKeyCNCVRJKRZJGKQE-UHFFFAOYSA-N
XLogP1.87
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-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

N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide
CID 170488830
S-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl) ethanethioate
CID 170480250
3-[(E)-but-1-enyl]imidazo[1,2-a]pyridine
CID 16741623
3-[(E)-3-phenylprop-1-enyl]imidazo[1,2-a]pyridine
CID 16741715
N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
CID 170488425
9H-fluoren-9-ylmethyl N-(3-imidazo[1,2-a]pyridin-3-ylprop-2-enyl)carbamate
CID 169469690
N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide
CID 170489404
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide
CID 170489660
N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide
CID 170488447
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide (CID 170488809) is N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide is CC(=O)NCCC=Cc1cnc2ccccn12.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide?
The InChIKey is CNCVRJKRZJGKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-11(17)14-8-4-2-6-12-10-15-13-7-3-5-9-16(12)13/h2-3,5-7,9-10H,4,8H2,1H3,(H,14,17).
What are the key properties of N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide?
N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-3-ylbut-3-enyl)acetamide is sourced from PubChem (CID 170488809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).