2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide

C8H10Cl2N2O2 — CID 131983621

IUPAC2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide
SMILESCON(C)C(=O)C1(Cl)C=CNC(Cl)=C1
InChIInChI=1S/C8H10Cl2N2O2/c1-12(14-2)7(13)8(10)3-4-11-6(9)5-8/h3-5,11H,1-2H3
InChIKeyPWUWVBVTYAKTCR-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.18
Rot. Bonds2

About 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide

2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide (PubChem CID 131983621) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide
PubChem CID131983621
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide
SMILESCON(C)C(=O)C1(Cl)C=CNC(Cl)=C1
InChIInChI=1S/C8H10Cl2N2O2/c1-12(14-2)7(13)8(10)3-4-11-6(9)5-8/h3-5,11H,1-2H3
InChIKeyPWUWVBVTYAKTCR-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide?
The IUPAC name of 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide (CID 131983621) is 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide?
The canonical SMILES for 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide is CON(C)C(=O)C1(Cl)C=CNC(Cl)=C1.
What is the InChIKey of 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide?
The InChIKey is PWUWVBVTYAKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-12(14-2)7(13)8(10)3-4-11-6(9)5-8/h3-5,11H,1-2H3.
What are the key properties of 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide?
2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide has a molecular weight of 237.09 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methoxy-N-methyl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 131983621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).