4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid

C11H9ClN4O3 — CID 114050634

IUPAC4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cnc(Cl)c(NC(=O)c2nc[nH]c2C(=O)O)c1
InChIInChI=1S/C11H9ClN4O3/c1-5-2-6(9(12)13-3-5)16-10(17)7-8(11(18)19)15-4-14-7/h2-4H,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyNBDYUWXSUPIJRF-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.72
Rot. Bonds3

About 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 114050634) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID114050634
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cnc(Cl)c(NC(=O)c2nc[nH]c2C(=O)O)c1
InChIInChI=1S/C11H9ClN4O3/c1-5-2-6(9(12)13-3-5)16-10(17)7-8(11(18)19)15-4-14-7/h2-4H,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyNBDYUWXSUPIJRF-UHFFFAOYSA-N
XLogP1.72
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 114050962
4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959593
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629
4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 66251830
4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 103477624
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 107624813
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide
CID 102979859

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 114050634) is 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid is Cc1cnc(Cl)c(NC(=O)c2nc[nH]c2C(=O)O)c1.
What is the InChIKey of 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is NBDYUWXSUPIJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-5-2-6(9(12)13-3-5)16-10(17)7-8(11(18)19)15-4-14-7/h2-4H,1H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 280.67 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 114050634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).