6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide

C12H12ClN3O2 — CID 71983520

IUPAC6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide
SMILESCc1noc(C)c1N(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3O2/c1-7-11(8(2)18-15-7)16(3)12(17)9-4-5-10(13)14-6-9/h4-6H,1-3H3
InChIKeyOMAFDCOFSQBTHY-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.62
Rot. Bonds2

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

6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide (PubChem CID 71983520) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide
PubChem CID71983520
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide
SMILESCc1noc(C)c1N(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3O2/c1-7-11(8(2)18-15-7)16(3)12(17)9-4-5-10(13)14-6-9/h4-6H,1-3H3
InChIKeyOMAFDCOFSQBTHY-UHFFFAOYSA-N
XLogP2.62
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473
6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide
CID 59141892
3-(6-chloro-3-pyridinyl)-3-(dimethylamino)prop-2-enal
CID 173339796
1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide
CID 75446709
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide
CID 56803309
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide (CID 71983520) is 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide is Cc1noc(C)c1N(C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is OMAFDCOFSQBTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-11(8(2)18-15-7)16(3)12(17)9-4-5-10(13)14-6-9/h4-6H,1-3H3.
What are the key properties of 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide?
6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 71983520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).