2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid

C12H12N4O3 — CID 43355195

IUPAC2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(-n2ccnc2)nc1)C(=O)O
InChIInChI=1S/C12H12N4O3/c1-8(12(18)19)15-11(17)9-2-3-10(14-6-9)16-5-4-13-7-16/h2-8H,1H3,(H,15,17)(H,18,19)
InChIKeyBVNGBZAQBCBCPL-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.47
Rot. Bonds4

About 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid

2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 43355195) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID43355195
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(-n2ccnc2)nc1)C(=O)O
InChIInChI=1S/C12H12N4O3/c1-8(12(18)19)15-11(17)9-2-3-10(14-6-9)16-5-4-13-7-16/h2-8H,1H3,(H,15,17)(H,18,19)
InChIKeyBVNGBZAQBCBCPL-UHFFFAOYSA-N
XLogP0.47
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 134001981
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 51725269
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 60555147
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 51931107
N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134002047
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782

Frequently Asked Questions

What is the IUPAC name of 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid (CID 43355195) is 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1ccc(-n2ccnc2)nc1)C(=O)O.
What is the InChIKey of 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is BVNGBZAQBCBCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-8(12(18)19)15-11(17)9-2-3-10(14-6-9)16-5-4-13-7-16/h2-8H,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid?
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 260.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43355195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).