4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide

C9H5Cl3N4O — CID 23592282

IUPAC4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1nc(Cl)c(Cl)[nH]1
InChIInChI=1S/C9H5Cl3N4O/c10-5-2-1-4(3-13-5)14-9(17)8-15-6(11)7(12)16-8/h1-3H,(H,14,17)(H,15,16)
InChIKeySYHXYDDNLNTNJZ-UHFFFAOYSA-N
MW291.53 g/mol
LogP3.02
Rot. Bonds2

About 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide

4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide (PubChem CID 23592282) has the molecular formula C9H5Cl3N4O and a molecular weight of 291.53 g/mol. Its IUPAC name is 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide
PubChem CID23592282
Molecular FormulaC9H5Cl3N4O
Molecular Weight291.53 g/mol
Exact Mass289.95
IUPAC Name4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1nc(Cl)c(Cl)[nH]1
InChIInChI=1S/C9H5Cl3N4O/c10-5-2-1-4(3-13-5)14-9(17)8-15-6(11)7(12)16-8/h1-3H,(H,14,17)(H,15,16)
InChIKeySYHXYDDNLNTNJZ-UHFFFAOYSA-N
XLogP3.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 56801418
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
CID 78929856
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
N-(6-chloro-3-pyridinyl)furan-2-carboxamide
CID 54787856
5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 89311605

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide (CID 23592282) is 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide is O=C(Nc1ccc(Cl)nc1)c1nc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide?
The InChIKey is SYHXYDDNLNTNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4O/c10-5-2-1-4(3-13-5)14-9(17)8-15-6(11)7(12)16-8/h1-3H,(H,14,17)(H,15,16).
What are the key properties of 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide?
4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide has a molecular weight of 291.53 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 23592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).