1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

C12H11FN4O3 — CID 107497359

IUPAC1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)c2cccc(F)n2)cn1
InChIInChI=1S/C12H11FN4O3/c13-10-3-1-2-8(16-10)11(18)14-4-5-17-6-9(12(19)20)15-7-17/h1-3,6-7H,4-5H2,(H,14,18)(H,19,20)
InChIKeyOIXIAJNGOMKOAX-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.55
Rot. Bonds5

About 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497359) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497359
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)c2cccc(F)n2)cn1
InChIInChI=1S/C12H11FN4O3/c13-10-3-1-2-8(16-10)11(18)14-4-5-17-6-9(12(19)20)15-7-17/h1-3,6-7H,4-5H2,(H,14,18)(H,19,20)
InChIKeyOIXIAJNGOMKOAX-UHFFFAOYSA-N
XLogP0.55
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497519
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-[(2-bromo-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497035
1-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496870
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497236
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
1-[2-[(2,3-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496859
1-[2-[(3-chloro-4-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496672
1-[2-(1,7-naphthyridine-8-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 166389491
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107497359) is 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is O=C(O)c1cn(CCNC(=O)c2cccc(F)n2)cn1.
What is the InChIKey of 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is OIXIAJNGOMKOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c13-10-3-1-2-8(16-10)11(18)14-4-5-17-6-9(12(19)20)15-7-17/h1-3,6-7H,4-5H2,(H,14,18)(H,19,20).
What are the key properties of 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 278.24 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).