6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid

C15H19N3O3 — CID 39186729

IUPAC6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid
SMILESCc1cccc2nc(C(=O)NCCCCCC(=O)O)cn12
InChIInChI=1S/C15H19N3O3/c1-11-6-5-7-13-17-12(10-18(11)13)15(21)16-9-4-2-3-8-14(19)20/h5-7,10H,2-4,8-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyIAGQBXISIONIFR-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.02
Rot. Bonds7

About 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid

6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid (PubChem CID 39186729) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid
PubChem CID39186729
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid
SMILESCc1cccc2nc(C(=O)NCCCCCC(=O)O)cn12
InChIInChI=1S/C15H19N3O3/c1-11-6-5-7-13-17-12(10-18(11)13)15(21)16-9-4-2-3-8-14(19)20/h5-7,10H,2-4,8-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyIAGQBXISIONIFR-UHFFFAOYSA-N
XLogP2.02
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid (CID 39186729) is 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid is Cc1cccc2nc(C(=O)NCCCCCC(=O)O)cn12.
What is the InChIKey of 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid?
The InChIKey is IAGQBXISIONIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-6-5-7-13-17-12(10-18(11)13)15(21)16-9-4-2-3-8-14(19)20/h5-7,10H,2-4,8-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid?
6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid has a molecular weight of 289.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 39186729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).