N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide

C12H14N4O — CID 170488825

IUPACN-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C12H14N4O/c1-9(17)13-5-3-2-4-10-6-11-12(14-7-10)16-8-15-11/h2,4,6-8H,3,5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyBPTYLWGPSIIMLD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.50
Rot. Bonds4

About N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide

N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide (PubChem CID 170488825) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide
PubChem CID170488825
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C12H14N4O/c1-9(17)13-5-3-2-4-10-6-11-12(14-7-10)16-8-15-11/h2,4,6-8H,3,5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyBPTYLWGPSIIMLD-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide (CID 170488825) is N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cnc2nc[nH]c2c1.
What is the InChIKey of N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide?
The InChIKey is BPTYLWGPSIIMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9(17)13-5-3-2-4-10-6-11-12(14-7-10)16-8-15-11/h2,4,6-8H,3,5H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide?
N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).