3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide

C14H14Cl2N2O — CID 103767084

IUPAC3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-8-3-4-9(16)17-12(8)14(19)18-13-10-6-1-2-7(5-6)11(10)13/h3-4,6-7,10-11,13H,1-2,5H2,(H,18,19)
InChIKeyNOXGBCSTYXXJLS-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.16
Rot. Bonds2

About 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide

3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide (PubChem CID 103767084) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
PubChem CID103767084
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-8-3-4-9(16)17-12(8)14(19)18-13-10-6-1-2-7(5-6)11(10)13/h3-4,6-7,10-11,13H,1-2,5H2,(H,18,19)
InChIKeyNOXGBCSTYXXJLS-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide (CID 103767084) is 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide is O=C(NC1C2C3CCC(C3)C12)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide?
The InChIKey is NOXGBCSTYXXJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-8-3-4-9(16)17-12(8)14(19)18-13-10-6-1-2-7(5-6)11(10)13/h3-4,6-7,10-11,13H,1-2,5H2,(H,18,19).
What are the key properties of 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide has a molecular weight of 297.19 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide is sourced from PubChem (CID 103767084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).