3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid

C13H16N4O3 — CID 122094297

IUPAC3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid
SMILESCc1cc(NC(=O)N(C)CCC(=O)O)cn2ccnc12
InChIInChI=1S/C13H16N4O3/c1-9-7-10(8-17-6-4-14-12(9)17)15-13(20)16(2)5-3-11(18)19/h4,6-8H,3,5H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyYOXAFNWRPNEFMJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.58
Rot. Bonds4

About 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid

3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid (PubChem CID 122094297) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid
PubChem CID122094297
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid
SMILESCc1cc(NC(=O)N(C)CCC(=O)O)cn2ccnc12
InChIInChI=1S/C13H16N4O3/c1-9-7-10(8-17-6-4-14-12(9)17)15-13(20)16(2)5-3-11(18)19/h4,6-8H,3,5H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyYOXAFNWRPNEFMJ-UHFFFAOYSA-N
XLogP1.58
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Imidazo[1,2-a]pyridine-3-acetic acid
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N-[3-(7-Methyl-imidazo[1,2-a]pyridin-2-yl)-phenyl]-succinamic acid
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6-[2-(7-Methylimidazo[1,2-a]pyridin-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
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2-(8-acetamido-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10596693
2-(8-amino-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 11792170
2-(7-Methylimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 326092
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)pentanamide
CID 2888127
N-(5-Methyl-imidazo[1,2-a]pyridin-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9802758
N-Imidazo[1,2-a]pyridin-6-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9823195

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid (CID 122094297) is 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid is Cc1cc(NC(=O)N(C)CCC(=O)O)cn2ccnc12.
What is the InChIKey of 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid?
The InChIKey is YOXAFNWRPNEFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-7-10(8-17-6-4-14-12(9)17)15-13(20)16(2)5-3-11(18)19/h4,6-8H,3,5H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid?
3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid has a molecular weight of 276.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122094297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).