4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide

C13H18N4O — CID 60863042

IUPAC4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide
SMILESCc1nc2ccccn2c1CNCCCC(N)=O
InChIInChI=1S/C13H18N4O/c1-10-11(9-15-7-4-5-12(14)18)17-8-3-2-6-13(17)16-10/h2-3,6,8,15H,4-5,7,9H2,1H3,(H2,14,18)
InChIKeyXEBQZALIFUJKNE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.00
Rot. Bonds6

About 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide

4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide (PubChem CID 60863042) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide
PubChem CID60863042
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide
SMILESCc1nc2ccccn2c1CNCCCC(N)=O
InChIInChI=1S/C13H18N4O/c1-10-11(9-15-7-4-5-12(14)18)17-8-3-2-6-13(17)16-10/h2-3,6,8,15H,4-5,7,9H2,1H3,(H2,14,18)
InChIKeyXEBQZALIFUJKNE-UHFFFAOYSA-N
XLogP1.00
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.00
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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Related Compounds

ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
CID 64580281
(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 54904820
3-(2-methoxyethoxy)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 43770876
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115674375
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
CID 115685656
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 63982688
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767977
3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzamide
CID 43767579
2-[methyl-[3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-yl]amino]acetamide
CID 43478504
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 103745424
1,1,1-trifluoro-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 103745198

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide?
The IUPAC name of 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide (CID 60863042) is 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide?
The canonical SMILES for 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide is Cc1nc2ccccn2c1CNCCCC(N)=O.
What is the InChIKey of 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide?
The InChIKey is XEBQZALIFUJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-11(9-15-7-4-5-12(14)18)17-8-3-2-6-13(17)16-10/h2-3,6,8,15H,4-5,7,9H2,1H3,(H2,14,18).
What are the key properties of 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide?
4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide has a molecular weight of 246.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide is sourced from PubChem (CID 60863042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).