2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide

C13H14Cl2N2O — CID 47020007

IUPAC2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c14-10-5-9(6-11(15)16-10)13(18)17-12(7-1-2-7)8-3-4-8/h5-8,12H,1-4H2,(H,17,18)
InChIKeyIEQSIYYAUOPZHN-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.31
Rot. Bonds4

About 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide

2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide (PubChem CID 47020007) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide
PubChem CID47020007
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c14-10-5-9(6-11(15)16-10)13(18)17-12(7-1-2-7)8-3-4-8/h5-8,12H,1-4H2,(H,17,18)
InChIKeyIEQSIYYAUOPZHN-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.31
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 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide (CID 47020007) is 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide is O=C(NC(C1CC1)C1CC1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide?
The InChIKey is IEQSIYYAUOPZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-10-5-9(6-11(15)16-10)13(18)17-12(7-1-2-7)8-3-4-8/h5-8,12H,1-4H2,(H,17,18).
What are the key properties of 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide?
2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide has a molecular weight of 285.17 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 47020007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).