3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide

C11H14Cl2N2O2 — CID 115606622

IUPAC3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide
SMILESCOCC(C)(C)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-11(2,6-17-3)15-10(16)9-7(12)4-5-8(13)14-9/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyZLMUAISYTDOFCA-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.54
Rot. Bonds4

About 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide

3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 115606622) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide
PubChem CID115606622
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide
SMILESCOCC(C)(C)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-11(2,6-17-3)15-10(16)9-7(12)4-5-8(13)14-9/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyZLMUAISYTDOFCA-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide (CID 115606622) is 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide is COCC(C)(C)NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is ZLMUAISYTDOFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-11(2,6-17-3)15-10(16)9-7(12)4-5-8(13)14-9/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115606622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).