3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide

C11H8Cl2N4O2 — CID 61040500

IUPAC3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N4O2/c12-6-3-4-7(13)14-8(6)9(18)15-11-17-16-10(19-11)5-1-2-5/h3-5H,1-2H2,(H,15,17,18)
InChIKeySYTFJPAXGHGZFD-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.90
Rot. Bonds3

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

3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 61040500) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
PubChem CID61040500
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N4O2/c12-6-3-4-7(13)14-8(6)9(18)15-11-17-16-10(19-11)5-1-2-5/h3-5H,1-2H2,(H,15,17,18)
InChIKeySYTFJPAXGHGZFD-UHFFFAOYSA-N
XLogP2.90
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide (CID 61040500) is 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1nnc(C2CC2)o1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is SYTFJPAXGHGZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-6-3-4-7(13)14-8(6)9(18)15-11-17-16-10(19-11)5-1-2-5/h3-5H,1-2H2,(H,15,17,18).
What are the key properties of 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 299.12 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 61040500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).