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

C12H11ClN4O3 — CID 107497519

IUPAC1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)c2cccc(Cl)n2)cn1
InChIInChI=1S/C12H11ClN4O3/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)
InChIKeyWWLZRXORLZEKRB-UHFFFAOYSA-N
MW294.70 g/mol
LogP1.06
Rot. Bonds5

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

1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497519) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497519
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)c2cccc(Cl)n2)cn1
InChIInChI=1S/C12H11ClN4O3/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)
InChIKeyWWLZRXORLZEKRB-UHFFFAOYSA-N
XLogP1.06
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 51.06
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-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497359
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496870
1-[2-[(2,3-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496859
1-[2-[(2-bromo-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497035
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
1-[2-(1,7-naphthyridine-8-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 166389491
1-[2-[(3-chloro-4-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496672
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497186
1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497236

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107497519) is 1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is O=C(O)c1cn(CCNC(=O)c2cccc(Cl)n2)cn1.
What is the InChIKey of 1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is WWLZRXORLZEKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/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-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 294.70 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).