4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid

C12H13N3O3 — CID 39176107

IUPAC4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid
SMILESCc1cnc2ccc(NC(=O)CCC(=O)O)cn12
InChIInChI=1S/C12H13N3O3/c1-8-6-13-10-3-2-9(7-15(8)10)14-11(16)4-5-12(17)18/h2-3,6-7H,4-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyGOLFANMYVAPEAK-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.45
Rot. Bonds4

About 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid

4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid (PubChem CID 39176107) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid
PubChem CID39176107
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid
SMILESCc1cnc2ccc(NC(=O)CCC(=O)O)cn12
InChIInChI=1S/C12H13N3O3/c1-8-6-13-10-3-2-9(7-15(8)10)14-11(16)4-5-12(17)18/h2-3,6-7H,4-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyGOLFANMYVAPEAK-UHFFFAOYSA-N
XLogP1.45
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide
CID 166210933
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide
CID 115274987
4-[4-[4-(3-carboxypropanoylamino)phenyl]anilino]-4-oxobutanoic acid
CID 18877617
4-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194109
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-methylfuran-2-carboxamide
CID 115274961
4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
4-[[6-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194121

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid (CID 39176107) is 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid is Cc1cnc2ccc(NC(=O)CCC(=O)O)cn12.
What is the InChIKey of 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid?
The InChIKey is GOLFANMYVAPEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-6-13-10-3-2-9(7-15(8)10)14-11(16)4-5-12(17)18/h2-3,6-7H,4-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid?
4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 39176107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).