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

C13H13Cl2N3O2 — CID 78961181

IUPAC5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O2/c1-6(11-7(2)18-20-8(11)3)17-13(19)9-4-10(14)12(15)16-5-9/h4-6H,1-3H3,(H,17,19)
InChIKeyUXXWSGWXBNELDZ-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.48
Rot. Bonds3

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

5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 78961181) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID78961181
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O2/c1-6(11-7(2)18-20-8(11)3)17-13(19)9-4-10(14)12(15)16-5-9/h4-6H,1-3H3,(H,17,19)
InChIKeyUXXWSGWXBNELDZ-UHFFFAOYSA-N
XLogP3.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.48
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

2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103892535
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 78961509
3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103842001
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 79231949
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-sulfanylbenzamide
CID 107032009
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-iodobenzamide
CID 78961175

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide (CID 78961181) is 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide is Cc1noc(C)c1C(C)NC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is UXXWSGWXBNELDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-6(11-7(2)18-20-8(11)3)17-13(19)9-4-10(14)12(15)16-5-9/h4-6H,1-3H3,(H,17,19).
What are the key properties of 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 314.17 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 78961181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).