3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide

C11H13N3O3 — CID 171899335

IUPAC3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide
SMILESNC(=O)CC(O)C(O)c1cnc2ccccn12
InChIInChI=1S/C11H13N3O3/c12-9(16)5-8(15)11(17)7-6-13-10-3-1-2-4-14(7)10/h1-4,6,8,11,15,17H,5H2,(H2,12,16)
InChIKeyTWBNFBDLBBLFBQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.40
Rot. Bonds4

About 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide

3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide (PubChem CID 171899335) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide
PubChem CID171899335
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide
SMILESNC(=O)CC(O)C(O)c1cnc2ccccn12
InChIInChI=1S/C11H13N3O3/c12-9(16)5-8(15)11(17)7-6-13-10-3-1-2-4-14(7)10/h1-4,6,8,11,15,17H,5H2,(H2,12,16)
InChIKeyTWBNFBDLBBLFBQ-UHFFFAOYSA-N
XLogP-0.40
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-amino-1-imidazo[1,2-a]pyridin-3-ylethanol
CID 96629920
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate
CID 171886794
1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol
CID 58533033
1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
CID 5058665
N-(3,3-diphenylpropyl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanamide
CID 5074475
3-(1-imidazo[1,2-a]pyridin-3-yl-2-methylpropyl)imidazo[1,2-a]pyridine
CID 11818608
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
1-imidazo[1,2-a]pyridin-3-yl-2-methoxyethanamine
CID 82029054
2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 7301673
3-imidazo[1,2-a]pyridin-3-yl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 42782840
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide?
The IUPAC name of 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide (CID 171899335) is 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide.
What is the SMILES notation for 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide?
The canonical SMILES for 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide is NC(=O)CC(O)C(O)c1cnc2ccccn12.
What is the InChIKey of 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide?
The InChIKey is TWBNFBDLBBLFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-9(16)5-8(15)11(17)7-6-13-10-3-1-2-4-14(7)10/h1-4,6,8,11,15,17H,5H2,(H2,12,16).
What are the key properties of 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide?
3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide has a molecular weight of 235.24 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide is sourced from PubChem (CID 171899335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).