3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide

C11H9Cl2N3O2 — CID 65486049

IUPAC3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
SMILESCc1noc(NC(=O)c2nc(Cl)ccc2Cl)c1C
InChIInChI=1S/C11H9Cl2N3O2/c1-5-6(2)16-18-11(5)15-10(17)9-7(12)3-4-8(13)14-9/h3-4H,1-2H3,(H,15,17)
InChIKeyJREVBNJRCWVVCF-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.25
Rot. Bonds2

About 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide

3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide (PubChem CID 65486049) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
PubChem CID65486049
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
SMILESCc1noc(NC(=O)c2nc(Cl)ccc2Cl)c1C
InChIInChI=1S/C11H9Cl2N3O2/c1-5-6(2)16-18-11(5)15-10(17)9-7(12)3-4-8(13)14-9/h3-4H,1-2H3,(H,15,17)
InChIKeyJREVBNJRCWVVCF-UHFFFAOYSA-N
XLogP3.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
CID 103909595
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238
3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
CID 61052606
3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 43547698
6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65479587
3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 79042463
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-(methylamino)pyridine-2-carboxamide
CID 65481765
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65480786

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide (CID 65486049) is 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide is Cc1noc(NC(=O)c2nc(Cl)ccc2Cl)c1C.
What is the InChIKey of 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide?
The InChIKey is JREVBNJRCWVVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-5-6(2)16-18-11(5)15-10(17)9-7(12)3-4-8(13)14-9/h3-4H,1-2H3,(H,15,17).
What are the key properties of 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 65486049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).